 Entering Gaussian System, Link 0=g16
 Input=36b_RhEn3-lel2ob_STD_wB97XD-def2SVPDr.in
 Output=36b_RhEn3-lel2ob_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/36b_RhEn3-lel2ob_STD/Gau-44715.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/36b_RhEn3-lel2ob_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     44716.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36b_RhEn3-lel2ob_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 18:32:26 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36b_RhEn3-lel2ob_STD_wB97XD-def2SVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.549130000000     -1.314427000000     -0.788263000000
  C                                                -2.489211000000     -1.476014000000      0.711136000000
  N                                                -1.044481000000     -1.454430000000      1.136257000000
  Rh                                               -0.000130000000      0.001194000000     -0.000069000000
  N                                                 0.979011000000     -1.499359000000     -1.135079000000
  C                                                 2.421772000000     -1.582914000000     -0.710906000000
  C                                                 2.489662000000     -1.422620000000      0.788334000000
  N                                                 1.765206000000     -0.157327000000      1.164490000000
  N                                                -1.771326000000     -0.081265000000     -1.164692000000
  N                                                 0.846355000000      1.588228000000     -1.125363000000
  C                                                 0.738354000000      2.867165000000     -0.338772000000
  H                                                 3.522736000000     -1.386984000000      1.135893000000
  H                                                 2.001302000000     -2.252121000000      1.300550000000
  H                                                 2.857264000000     -2.531090000000     -1.027803000000
  H                                                 2.968216000000     -0.788605000000     -1.220402000000
  H                                                -2.965540000000     -2.404079000000      1.028788000000
  H                                                -3.001107000000     -0.658112000000      1.219196000000
  H                                                -3.579527000000     -1.235079000000     -1.136554000000
  H                                                -2.096291000000     -2.164483000000     -1.299497000000
  H                                                -2.362756000000      0.735150000000     -1.010250000000
  H                                                -1.609574000000     -0.093550000000     -2.171636000000
  H                                                -0.655838000000     -2.389231000000      1.013613000000
  H                                                -1.001113000000     -1.293216000000      2.142374000000
  H                                                 0.550136000000     -2.416064000000     -1.010284000000
  H                                                 0.941873000000     -1.338186000000     -2.141433000000
  H                                                 2.390480000000      0.633399000000      1.009972000000
  H                                                 1.602819000000     -0.162719000000      2.171382000000
  C                                                -0.610551000000      2.897132000000      0.338045000000
  N                                                -0.774945000000      1.624430000000      1.124896000000
  H                                                 1.817285000000      1.452090000000     -1.405369000000
  H                                                 0.343548000000      1.706576000000     -2.005010000000
  H                                                 1.547070000000      2.884615000000      0.392932000000
  H                                                 0.872026000000      3.729136000000     -0.993286000000
  H                                                -0.705735000000      3.764310000000      0.992421000000
  H                                                -1.417928000000      2.950178000000     -0.393378000000
  H                                                -1.750811000000      1.531991000000      1.405639000000
  H                                                -0.266808000000      1.720469000000      2.004222000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1          12          14           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  14.0030740   1.0078250
 NucSpn=           1           1           1           1           1           1           1           0           2           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   4.5500000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.4037610   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   7.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 18:32:27 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549130   -1.314427   -0.788263
      2          6           0       -2.489211   -1.476014    0.711136
      3          7           0       -1.044481   -1.454430    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979011   -1.499359   -1.135079
      6          6           0        2.421772   -1.582914   -0.710906
      7          6           0        2.489662   -1.422620    0.788334
      8          7           0        1.765206   -0.157327    1.164490
      9          7           0       -1.771326   -0.081265   -1.164692
     10          7           0        0.846355    1.588228   -1.125363
     11          6           0        0.738354    2.867165   -0.338772
     12          1           0        3.522736   -1.386984    1.135893
     13          1           0        2.001302   -2.252121    1.300550
     14          1           0        2.857264   -2.531090   -1.027803
     15          1           0        2.968216   -0.788605   -1.220402
     16          1           0       -2.965540   -2.404079    1.028788
     17          1           0       -3.001107   -0.658112    1.219196
     18          1           0       -3.579527   -1.235079   -1.136554
     19          1           0       -2.096291   -2.164483   -1.299497
     20          1           0       -2.362756    0.735150   -1.010250
     21          1           0       -1.609574   -0.093550   -2.171636
     22          1           0       -0.655838   -2.389231    1.013613
     23          1           0       -1.001113   -1.293216    2.142374
     24          1           0        0.550136   -2.416064   -1.010284
     25          1           0        0.941873   -1.338186   -2.141433
     26          1           0        2.390480    0.633399    1.009972
     27          1           0        1.602819   -0.162719    2.171382
     28          6           0       -0.610551    2.897132    0.338045
     29          7           0       -0.774945    1.624430    1.124896
     30          1           0        1.817285    1.452090   -1.405369
     31          1           0        0.343548    1.706576   -2.005010
     32          1           0        1.547070    2.884615    0.392932
     33          1           0        0.872026    3.729136   -0.993286
     34          1           0       -0.705735    3.764310    0.992421
     35          1           0       -1.417928    2.950178   -0.393378
     36          1           0       -1.750811    1.531991    1.405639
     37          1           0       -0.266808    1.720469    2.004222
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509271   0.000000
     3  N    2.446906   1.506134   0.000000
     4  Rh   2.974812   2.980517   2.121496   0.000000
     5  N    3.549966   3.929074   3.042286   2.120996   0.000000
     6  C    4.978748   5.113842   3.929813   2.979983   1.506142
     7  C    5.280794   4.979758   3.551370   2.974540   2.446931
     8  N    4.874999   4.477112   3.094772   2.120787   2.776179
     9  N    1.505778   2.445284   2.776374   2.121387   3.094547
    10  N    4.479772   4.887567   4.236503   2.121674   3.090451
    11  C    5.338099   5.512049   4.902081   2.978904   4.445059
    12  H    6.369866   6.027591   4.567715   3.953231   3.411815
    13  H    5.094001   4.595047   3.152792   3.282494   2.746638
    14  H    5.546778   5.720305   4.589768   3.953909   2.145649
    15  H    5.559167   5.829827   4.700947   3.305159   2.114093
    16  H    2.159262   1.090457   2.145659   3.954433   4.589153
    17  H    2.159844   1.090471   2.114092   3.305625   4.700175
    18  H    1.090560   2.158888   3.411780   3.953739   4.566193
    19  H    1.090421   2.161254   2.746521   3.282158   3.150699
    20  H    2.069971   2.805068   3.337604   2.672295   4.021942
    21  H    2.070514   3.315923   3.621254   2.704624   3.122743
    22  H    2.826042   2.070438   1.019773   2.677991   2.842795
    23  H    3.314429   2.072750   1.019874   2.695835   3.834721
    24  H    3.296718   3.617266   2.841686   2.677025   1.019733
    25  H    3.744160   4.464133   3.834367   2.695691   1.019855
    26  H    5.606017   5.324501   4.021683   2.671120   3.337985
    27  H    5.227295   4.538917   3.122210   2.703981   3.620556
    28  C    4.771152   4.774198   4.445394   2.978824   4.901626
    29  N    3.929986   3.566884   3.090657   2.121504   4.235789
    30  H    5.205768   5.621325   4.805978   2.717161   3.080067
    31  H    4.355975   5.052806   4.667563   2.654474   3.382102
    32  H    5.983814   5.950454   5.108422   3.295815   4.677257
    33  H    6.097858   6.426240   5.922610   3.955337   5.231511
    34  H    5.688806   5.542644   5.231700   3.955244   5.922064
    35  H    4.429719   4.686019   4.677587   3.295656   5.108211
    36  H    3.681388   3.174218   3.080613   2.717396   4.805857
    37  H    4.713551   4.102274   3.382029   2.654092   4.666323
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509312   0.000000
     8  N    2.445503   1.505754   0.000000
     9  N    4.476934   4.875404   4.235320   0.000000
    10  N    3.565088   3.927837   3.022363   3.104997   0.000000
    11  C    4.772377   4.768616   3.530124   3.959025   1.505347
    12  H    2.158976   1.090554   2.145177   5.918166   4.596540
    13  H    2.161154   1.090382   2.112443   5.002275   4.686922
    14  H    1.090465   2.159211   3.410790   5.238724   4.584981
    15  H    1.090465   2.160095   2.744714   4.792358   3.187579
    16  H    5.720488   5.548000   5.238919   3.410713   5.925321
    17  H    5.829937   5.560455   4.792861   2.743727   5.034478
    18  H    6.026421   6.369884   5.917983   2.145150   5.249726
    19  H    4.593208   5.093168   5.001107   2.112717   4.772036
    20  H    5.324916   5.606856   4.750377   1.019890   3.322557
    21  H    4.539129   5.227962   4.745834   1.019927   3.155099
    22  H    3.618811   3.298372   3.296303   3.363931   4.759410
    23  H    4.465565   3.746422   3.146271   3.605376   4.732226
    24  H    2.070456   2.825548   3.362727   3.296106   4.016882
    25  H    2.072776   3.314561   3.605750   3.145683   3.099261
    26  H    2.806144   2.070308   1.019849   4.749793   2.802798
    27  H    3.315904   2.070426   1.019917   4.745617   3.808751
    28  C    5.510544   5.336135   3.956887   3.532204   2.444866
    29  N    4.886330   4.478331   3.102997   3.023968   2.773732
    30  H    3.171582   3.678095   3.032674   3.909889   1.019628
    31  H    4.100544   4.711735   3.942204   2.893994   1.020098
    32  H    4.684269   4.426861   3.145838   4.715335   2.115855
    33  H    5.540697   5.686080   4.534133   4.640673   2.145132
    34  H    6.424596   6.095610   4.638361   4.536195   3.410180
    35  H    5.949205   5.982229   4.713373   3.147930   2.741840
    36  H    5.620751   5.205036   3.908238   3.034735   3.626900
    37  H    5.051012   4.353794   2.891427   3.943582   3.324293
                   11         12         13         14         15
    11  C    0.000000
    12  H    5.293884   0.000000
    13  H    5.521730   1.757935   0.000000
    14  H    5.840009   2.536417   2.496342   0.000000
    15  H    4.371980   2.493527   3.071156   1.756604   0.000000
    16  H    6.585975   6.568385   4.976592   6.176629   6.548135
    17  H    5.370141   6.564962   5.250865   6.548096   6.449921
    18  H    6.009073   7.458501   6.174099   6.566868   6.563483
    19  H    5.854544   6.173256   4.853678   4.974528   5.248669
    20  H    3.822729   6.614257   5.771359   6.157698   5.548446
    21  H    4.199761   6.241260   5.454716   5.215611   4.726956
    22  H    5.603786   4.298829   2.676103   4.065635   4.548252
    23  H    5.146902   4.635408   3.262309   5.144845   5.226707
    24  H    5.329058   3.808075   2.733627   2.310060   2.922308
    25  H    4.579955   4.171822   3.715496   2.516330   2.292685
    26  H    3.088421   2.319441   2.926110   3.792678   2.707479
    27  H    4.028445   2.501428   2.298421   4.173440   3.709480
    28  C    1.509478   6.006186   5.853460   6.584594   5.368518
    29  N    2.444747   5.247742   4.771378   5.924137   5.033330
    30  H    2.074647   4.174556   4.590974   4.133985   2.525781
    31  H    2.068620   5.435312   5.417209   5.023098   3.705458
    32  H    1.090741   4.764641   5.236044   5.750214   4.256178
    33  H    1.090528   6.142829   6.504797   6.567556   4.985537
    34  H    2.159245   6.666062   6.604577   7.510548   6.254881
    35  H    2.158570   6.749800   6.451701   6.980262   5.822433
    36  H    3.319880   6.033529   5.330000   6.607921   5.877965
    37  H    2.795511   4.977038   4.628277   6.085126   5.211433
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756679   0.000000
    18  H    2.536187   2.493395   0.000000
    19  H    2.496780   3.071101   1.757934   0.000000
    20  H    3.791541   2.705384   2.319113   2.926182   0.000000
    21  H    4.173716   3.708482   2.501039   2.299192   1.613333
    22  H    2.309800   2.922212   3.808312   2.734208   4.095284
    23  H    2.516558   2.292508   4.171686   3.715508   3.988405
    24  H    4.064226   4.546680   4.297067   2.674044   4.291281
    25  H    5.143375   5.225267   4.632869   3.259151   4.061880
    26  H    6.157400   5.548061   6.613605   5.770000   5.165743
    27  H    5.215278   4.727389   6.240922   5.453208   5.162822
    28  C    5.841741   4.373894   5.297587   5.523487   3.092295
    29  N    4.586592   3.189779   4.599633   4.688230   2.805497
    30  H    6.608372   5.878622   6.034792   5.329811   4.259444
    31  H    6.086993   5.212866   4.979766   4.629866   3.042581
    32  H    6.981278   5.824048   6.752274   6.452270   4.677164
    33  H    7.512125   6.256531   6.669354   6.606014   4.407727
    34  H    6.569404   4.987783   6.146959   6.506698   3.991519
    35  H    5.752019   4.257535   4.768773   5.238414   2.485876
    36  H    4.136451   2.528745   4.178950   4.593587   2.616477
    37  H    5.024592   3.708140   5.438184   5.417972   3.801433
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.040492   0.000000
    23  H    4.518861   1.610765   0.000000
    24  H    3.377448   2.356110   3.688687   0.000000
    25  H    2.838999   3.689403   4.704064   1.610831   0.000000
    26  H    5.162511   4.291429   4.061660   4.094817   3.989607
    27  H    5.402412   3.376287   2.838895   4.038404   4.518733
    28  C    4.029978   5.329548   4.578991   5.603145   5.147402
    29  N    3.809880   4.016970   3.098237   4.758196   4.732173
    30  H    3.836604   5.169483   5.297788   4.089544   3.015589
    31  H    2.661372   5.185219   5.292226   4.245977   3.105991
    32  H    5.040920   5.749043   5.196928   5.573158   4.961987
    33  H    4.707417   6.617887   6.210075   6.153648   5.196236
    34  H    5.070628   6.153780   5.195018   6.617028   6.210565
    35  H    3.530327   5.574019   4.960863   5.748948   5.197540
    36  H    3.931822   4.090065   3.014402   5.168963   5.298130
    37  H    4.746733   4.245266   3.104929   5.183199   5.291761
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613408   0.000000
    28  C    3.818659   4.197954   0.000000
    29  N    3.318925   3.153220   1.505301   0.000000
    30  H    2.613939   3.930236   3.319944   3.626513   0.000000
    31  H    3.798915   4.745764   2.796003   3.324769   1.611283
    32  H    2.481945   3.528773   2.158355   2.741458   2.314958
    33  H    3.987773   5.069094   2.159330   3.410131   2.499653
    34  H    4.403346   4.705415   1.090535   2.145093   4.178683
    35  H    4.673417   5.039150   1.090711   2.115701   3.706076
    36  H    4.256091   3.834741   2.074502   1.019645   4.543067
    37  H    3.038327   2.658918   2.068536   1.020118   4.005094
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.930250   0.000000
    33  H    2.322418   1.757982   0.000000
    34  H    3.784159   2.491662   2.536454   0.000000
    35  H    2.691970   3.068191   2.492098   1.757973   0.000000
    36  H    4.006164   3.705562   4.178703   2.499236   2.314849
    37  H    4.055449   2.691030   3.783747   2.322431   2.930145
                   36         37
    36  H    0.000000
    37  H    1.611239   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.63D-14
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549129   -1.314430   -0.788263
      2          6           0       -2.489209   -1.476017    0.711136
      3          7           0       -1.044479   -1.454431    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979013   -1.499358   -1.135079
      6          6           0        2.421774   -1.582911   -0.710906
      7          6           0        2.489664   -1.422617    0.788334
      8          7           0        1.765206   -0.157325    1.164490
      9          7           0       -1.771326   -0.081267   -1.164692
     10          7           0        0.846353    1.588229   -1.125363
     11          6           0        0.738351    2.867166   -0.338772
     12          1           0        3.522738   -1.386980    1.135893
     13          1           0        2.001305   -2.252119    1.300550
     14          1           0        2.857267   -2.531087   -1.027803
     15          1           0        2.968217   -0.788602   -1.220402
     16          1           0       -2.965537   -2.404082    1.028788
     17          1           0       -3.001106   -0.658115    1.219196
     18          1           0       -3.579526   -1.235083   -1.136554
     19          1           0       -2.096289   -2.164485   -1.299497
     20          1           0       -2.362757    0.735147   -1.010250
     21          1           0       -1.609574   -0.093552   -2.171636
     22          1           0       -0.655835   -2.389232    1.013613
     23          1           0       -1.001112   -1.293217    2.142374
     24          1           0        0.550139   -2.416063   -1.010284
     25          1           0        0.941875   -1.338185   -2.141433
     26          1           0        2.390479    0.633402    1.009972
     27          1           0        1.602819   -0.162717    2.171382
     28          6           0       -0.610554    2.897131    0.338045
     29          7           0       -0.774947    1.624429    1.124896
     30          1           0        1.817283    1.452092   -1.405369
     31          1           0        0.343546    1.706576   -2.005010
     32          1           0        1.547067    2.884617    0.392932
     33          1           0        0.872022    3.729137   -0.993286
     34          1           0       -0.705739    3.764309    0.992421
     35          1           0       -1.417931    2.950176   -0.393378
     36          1           0       -1.750813    1.531989    1.405639
     37          1           0       -0.266810    1.720469    2.004222
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7011504           0.6913191           0.4695393
 Leave Link  202 at Fri Jul 23 18:32:27 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     28
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     29
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 3 1.00
     Exponent=  7.9177440000D+00 Coefficients=  1.4014042010D+00
     Exponent=  6.8412070000D+00 Coefficients= -1.7975072656D+00
     Exponent=  2.9598400000D+00 Coefficients= -1.6225754497D-01
 S 1 1.00
     Exponent=  1.3166643441D+00 Coefficients=  8.7495110714D-01
 S 1 1.00
     Exponent=  5.6907152172D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0059695193D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7071460798D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.1360790000D+00 Coefficients= -5.5183328018D-01
     Exponent=  2.9462810000D+00 Coefficients=  6.1370533515D-01
     Exponent=  1.0792431924D+00 Coefficients=  6.4005434538D-01
     Exponent=  4.6611217769D-01 Coefficients=  2.5958050755D-01
 P 1 1.00
     Exponent=  1.7453169991D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.4600000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  6.8847131641D+00 Coefficients= -1.5962387985D-02
     Exponent=  2.3837304391D+00 Coefficients=  2.3047555829D-01
     Exponent=  1.0184384022D+00 Coefficients=  4.4075804028D-01
     Exponent=  3.9957494644D-01 Coefficients=  3.9567661996D-01
 D 1 1.00
     Exponent=  1.3951120264D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          1
                                   No pseudopotential on this center.
   13          1
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          6
                                   No pseudopotential on this center.
   29          7
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   466 symmetry adapted basis functions of A   symmetry.
   466 basis functions,   692 primitive gaussians,   495 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.2090739051 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0395098456 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.1695640595 Hartrees.
 Leave Link  301 at Fri Jul 23 18:32:29 2021, MaxMem= 10737418240 cpu:              21.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20722 LenP2D=   45925.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   466 RedAO= T EigKep=  9.69D-06  NBF=   466
 NBsUse=   466 1.00D-06 EigRej= -1.00D+00 NBFU=   466
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   495   495   495   495   495 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul 23 18:32:30 2021, MaxMem= 10737418240 cpu:              20.1 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 18:32:31 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36b_RhEn3-lel2ob_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 18:32:32 2021, MaxMem= 10737418240 cpu:              16.6 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736915163 LenY= 10736669643
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.762768270367    
 DIIS: error= 3.88D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.762768270367     IErMin= 1 ErrMin= 3.88D-03
 ErrMax= 3.88D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-02 BMatP= 1.83D-02
 IDIUse=3 WtCom= 9.61D-01 WtEn= 3.88D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 GapD=    0.390 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.29D-03 MaxDP=1.07D+00              OVMax= 1.28D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.78D-03    CP:  1.25D+00
 E= -680.776610547503     Delta-E=       -0.013842277136 Rises=F Damp=F
 DIIS: error= 1.36D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.776610547503     IErMin= 2 ErrMin= 1.36D-03
 ErrMax= 1.36D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.85D-04 BMatP= 1.83D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.36D-02
 Coeff-Com: -0.138D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.136D-01 0.101D+01
 Gap=     0.387 Goal=   None    Shift=    0.000
 RMSDP=1.28D-03 MaxDP=1.89D-01 DE=-1.38D-02 OVMax= 1.16D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.57D-04    CP:  1.29D+00  1.14D+00
 E= -680.776737873855     Delta-E=       -0.000127326352 Rises=F Damp=F
 DIIS: error= 1.51D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.776737873855     IErMin= 2 ErrMin= 1.36D-03
 ErrMax= 1.51D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.84D-04 BMatP= 5.85D-04
 IDIUse=3 WtCom= 2.05D-01 WtEn= 7.95D-01
 Coeff-Com: -0.475D-01 0.600D+00 0.447D+00
 Coeff-En:   0.000D+00 0.444D+00 0.556D+00
 Coeff:     -0.972D-02 0.476D+00 0.534D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=3.62D-04 MaxDP=2.12D-02 DE=-1.27D-04 OVMax= 6.53D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.76D-04    CP:  1.29D+00  1.16D+00  6.23D-01
 E= -680.777379474215     Delta-E=       -0.000641600360 Rises=F Damp=F
 DIIS: error= 7.82D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.777379474215     IErMin= 4 ErrMin= 7.82D-04
 ErrMax= 7.82D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-04 BMatP= 5.85D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.82D-03
 Coeff-Com: -0.214D-01 0.142D+00 0.292D+00 0.587D+00
 Coeff-En:   0.000D+00 0.000D+00 0.104D+00 0.896D+00
 Coeff:     -0.212D-01 0.141D+00 0.291D+00 0.589D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.42D-04 MaxDP=1.18D-02 DE=-6.42D-04 OVMax= 3.28D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.36D-05    CP:  1.29D+00  1.16D+00  8.35D-01  6.87D-01
 E= -680.777489302650     Delta-E=       -0.000109828436 Rises=F Damp=F
 DIIS: error= 1.08D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.777489302650     IErMin= 5 ErrMin= 1.08D-04
 ErrMax= 1.08D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-05 BMatP= 1.34D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.08D-03
 Coeff-Com:  0.632D-03-0.557D-01 0.132D-01 0.274D+00 0.768D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.632D-03-0.557D-01 0.132D-01 0.274D+00 0.768D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.52D-05 MaxDP=3.48D-03 DE=-1.10D-04 OVMax= 7.69D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.87D-05    CP:  1.29D+00  1.17D+00  8.21D-01  7.91D-01  1.01D+00
 E= -680.777498616660     Delta-E=       -0.000009314010 Rises=F Damp=F
 DIIS: error= 1.78D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.777498616660     IErMin= 6 ErrMin= 1.78D-05
 ErrMax= 1.78D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-07 BMatP= 1.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.136D-02-0.237D-01-0.178D-01 0.427D-01 0.235D+00 0.762D+00
 Coeff:      0.136D-02-0.237D-01-0.178D-01 0.427D-01 0.235D+00 0.762D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.40D-06 MaxDP=2.49D-04 DE=-9.31D-06 OVMax= 1.93D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.30D-06    CP:  1.29D+00  1.17D+00  8.21D-01  8.00D-01  1.02D+00
                    CP:  9.29D-01
 E= -680.777499007416     Delta-E=       -0.000000390756 Rises=F Damp=F
 DIIS: error= 5.55D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.777499007416     IErMin= 7 ErrMin= 5.55D-06
 ErrMax= 5.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-08 BMatP= 3.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.314D-03-0.206D-02-0.599D-02-0.833D-02-0.502D-02 0.188D+00
 Coeff-Com:  0.833D+00
 Coeff:      0.314D-03-0.206D-02-0.599D-02-0.833D-02-0.502D-02 0.188D+00
 Coeff:      0.833D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.93D-06 MaxDP=1.26D-04 DE=-3.91D-07 OVMax= 5.09D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.73D-07    CP:  1.29D+00  1.17D+00  8.20D-01  8.04D-01  1.03D+00
                    CP:  9.91D-01  1.05D+00
 E= -680.777499043712     Delta-E=       -0.000000036296 Rises=F Damp=F
 DIIS: error= 1.55D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.777499043712     IErMin= 8 ErrMin= 1.55D-06
 ErrMax= 1.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-09 BMatP= 2.53D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.791D-04 0.260D-02 0.490D-03-0.766D-02-0.364D-01-0.440D-01
 Coeff-Com:  0.227D+00 0.858D+00
 Coeff:     -0.791D-04 0.260D-02 0.490D-03-0.766D-02-0.364D-01-0.440D-01
 Coeff:      0.227D+00 0.858D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=6.78D-07 MaxDP=4.60D-05 DE=-3.63D-08 OVMax= 1.89D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.07D-07    CP:  1.29D+00  1.17D+00  8.19D-01  8.04D-01  1.03D+00
                    CP:  1.01D+00  1.12D+00  9.75D-01
 E= -680.777499047884     Delta-E=       -0.000000004172 Rises=F Damp=F
 DIIS: error= 2.90D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.777499047884     IErMin= 9 ErrMin= 2.90D-07
 ErrMax= 2.90D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.81D-11 BMatP= 3.04D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.193D-04 0.253D-03 0.237D-03 0.703D-04-0.280D-02-0.918D-02
 Coeff-Com: -0.133D-01 0.508D-01 0.974D+00
 Coeff:     -0.193D-04 0.253D-03 0.237D-03 0.703D-04-0.280D-02-0.918D-02
 Coeff:     -0.133D-01 0.508D-01 0.974D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.97D-07 MaxDP=2.22D-05 DE=-4.17D-09 OVMax= 3.69D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.91D-08    CP:  1.29D+00  1.17D+00  8.19D-01  8.04D-01  1.03D+00
                    CP:  1.01D+00  1.12D+00  9.94D-01  1.07D+00
 E= -680.777499048087     Delta-E=       -0.000000000203 Rises=F Damp=F
 DIIS: error= 9.92D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.777499048087     IErMin=10 ErrMin= 9.92D-08
 ErrMax= 9.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.15D-12 BMatP= 5.81D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.148D-05-0.431D-04 0.359D-04 0.362D-03 0.758D-03-0.514D-03
 Coeff-Com: -0.126D-01-0.250D-01 0.235D+00 0.802D+00
 Coeff:     -0.148D-05-0.431D-04 0.359D-04 0.362D-03 0.758D-03-0.514D-03
 Coeff:     -0.126D-01-0.250D-01 0.235D+00 0.802D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.92D-08 MaxDP=4.31D-06 DE=-2.03D-10 OVMax= 1.24D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.80D-08    CP:  1.29D+00  1.17D+00  8.19D-01  8.04D-01  1.03D+00
                    CP:  1.01D+00  1.12D+00  9.98D-01  1.10D+00  9.09D-01
 E= -680.777499048002     Delta-E=        0.000000000085 Rises=F Damp=F
 DIIS: error= 5.92D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -680.777499048087     IErMin=11 ErrMin= 5.92D-08
 ErrMax= 5.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-12 BMatP= 5.15D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-05-0.521D-04-0.114D-04 0.170D-03 0.727D-03 0.860D-03
 Coeff-Com: -0.450D-02-0.191D-01-0.796D-02 0.412D+00 0.618D+00
 Coeff:      0.163D-05-0.521D-04-0.114D-04 0.170D-03 0.727D-03 0.860D-03
 Coeff:     -0.450D-02-0.191D-01-0.796D-02 0.412D+00 0.618D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.07D-08 MaxDP=1.27D-06 DE= 8.53D-11 OVMax= 5.32D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.44D-09    CP:  1.29D+00  1.17D+00  8.19D-01  8.04D-01  1.03D+00
                    CP:  1.01D+00  1.12D+00  9.99D-01  1.10D+00  9.50D-01
                    CP:  8.52D-01
 E= -680.777499048072     Delta-E=       -0.000000000070 Rises=F Damp=F
 DIIS: error= 3.22D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -680.777499048087     IErMin=12 ErrMin= 3.22D-08
 ErrMax= 3.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-13 BMatP= 1.90D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.207D-08 0.134D-04-0.405D-05-0.840D-04-0.190D-03-0.116D-04
 Coeff-Com:  0.272D-02 0.610D-02-0.414D-01-0.157D+00-0.337D-01 0.122D+01
 Coeff:      0.207D-08 0.134D-04-0.405D-05-0.840D-04-0.190D-03-0.116D-04
 Coeff:      0.272D-02 0.610D-02-0.414D-01-0.157D+00-0.337D-01 0.122D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=5.08D-09 MaxDP=5.55D-07 DE=-7.00D-11 OVMax= 6.68D-07

 SCF Done:  E(RwB97XD) =  -680.777499048     A.U. after   12 cycles
            NFock= 12  Conv=0.51D-08     -V/T= 2.1269
 KE= 6.040978520251D+02 PE=-3.900765267864D+03 EE= 1.417720352731D+03
 Leave Link  502 at Fri Jul 23 18:39:37 2021, MaxMem= 10737418240 cpu:            6774.2 elap:             424.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   466
 NBasis=   466 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    466 NOA=    58 NOB=    58 NVA=   408 NVB=   408

 **** Warning!!: The largest alpha MO coefficient is  0.56426149D+02

 Leave Link  801 at Fri Jul 23 18:39:37 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11209 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-13 8.33D-09 XBig12= 1.00D+00 2.90D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-13 8.33D-09 XBig12= 1.41D-01 7.87D-02.
     11 vectors produced by pass  2 Test12= 3.94D-13 8.33D-09 XBig12= 4.53D-02 5.76D-02.
     11 vectors produced by pass  3 Test12= 3.94D-13 8.33D-09 XBig12= 6.52D-03 1.66D-02.
     11 vectors produced by pass  4 Test12= 3.94D-13 8.33D-09 XBig12= 9.73D-04 6.69D-03.
     11 vectors produced by pass  5 Test12= 3.94D-13 8.33D-09 XBig12= 1.06D-04 2.68D-03.
     11 vectors produced by pass  6 Test12= 3.94D-13 8.33D-09 XBig12= 2.06D-05 1.04D-03.
     11 vectors produced by pass  7 Test12= 3.94D-13 8.33D-09 XBig12= 1.30D-06 2.04D-04.
     11 vectors produced by pass  8 Test12= 3.94D-13 8.33D-09 XBig12= 5.04D-08 5.77D-05.
     11 vectors produced by pass  9 Test12= 3.94D-13 8.33D-09 XBig12= 2.82D-09 1.30D-05.
     11 vectors produced by pass 10 Test12= 3.94D-13 8.33D-09 XBig12= 1.12D-10 1.72D-06.
     10 vectors produced by pass 11 Test12= 3.94D-13 8.33D-09 XBig12= 2.50D-12 3.09D-07.
      3 vectors produced by pass 12 Test12= 3.94D-13 8.33D-09 XBig12= 5.60D-14 3.84D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   134 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.151837D+03
      2 -0.223991D-02  0.150751D+03
      3 -0.224096D-01 -0.237560D-02  0.122769D+03
 Isotropic polarizability for W=    0.085645      141.79 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.616168D+01 -0.952233D+02 -0.206801D+00
      2   0.628208D+01  0.101207D+03  0.189599D+00
      3  -0.120401D+00 -0.598388D+01  0.172021D-01
      4  -0.925983D+02  0.634460D+01 -0.470656D+01
      5  -0.174758D+00  0.130175D+01 -0.209508D+00
      6  -0.910002D+01  0.154585D+00 -0.892085D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.175572D+01  0.101544D+00  0.166221D+01
      2   0.557702D-01  0.228665D+01 -0.245952D-01
      3   0.235249D+01 -0.113158D+00 -0.382006D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.600832D+01 -0.350136D-01  0.293697D+01
      2  -0.320427D-01  0.439346D+01 -0.891065D-01
      3   0.262500D+01 -0.625252D-01 -0.104018D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.735373D+00 -0.477107D-01 -0.308430D+00
      2  -0.477107D-01 -0.168952D+01  0.154844D-01
      3  -0.308430D+00  0.154844D-01 -0.233498D+01
 OR G Eigenvalues:    -2.3658    -1.6903     0.7670  Iso=     1.0964
 Eigenvectors:
   (1)   0.098713  -0.015817   0.994990
   (2)   0.021413   0.999676   0.013767
   (3)   0.994885  -0.019947  -0.099020
 w=    0.085645 a.u., Optical Rotation Beta=      1.0964 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      183.61 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  108811 ScalPx= 4.77D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.75D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 3.54D-01.
     30 vectors produced by pass  1 Test12= 6.57D-14 2.78D-09 XBig12= 5.69D-01 2.95D-01.
     30 vectors produced by pass  2 Test12= 6.57D-14 2.78D-09 XBig12= 1.06D-02 2.02D-02.
     30 vectors produced by pass  3 Test12= 6.57D-14 2.78D-09 XBig12= 4.81D-04 4.08D-03.
     30 vectors produced by pass  4 Test12= 6.57D-14 2.78D-09 XBig12= 1.39D-05 3.40D-04.
     30 vectors produced by pass  5 Test12= 6.57D-14 2.78D-09 XBig12= 2.31D-07 5.74D-05.
     30 vectors produced by pass  6 Test12= 6.57D-14 2.78D-09 XBig12= 3.18D-09 7.50D-06.
     30 vectors produced by pass  7 Test12= 6.57D-14 2.78D-09 XBig12= 3.82D-11 7.79D-07.
     29 vectors produced by pass  8 Test12= 6.57D-14 2.78D-09 XBig12= 3.64D-13 7.56D-08.
      5 vectors produced by pass  9 Test12= 6.57D-14 2.78D-09 XBig12= 3.89D-15 5.37D-09.
      1 vectors produced by pass 10 Test12= 6.57D-14 2.78D-09 XBig12= 7.41D-15 7.42D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   275 with    30 vectors.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 4.58D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 4.58D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.55D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151837D+03 -0.223991D-02 -0.224096D-01
      2  -0.223991D-02  0.150751D+03 -0.237560D-02
      3  -0.224096D-01 -0.237560D-02  0.122769D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.175572D+01  0.101544D+00  0.166221D+01
      2   0.557702D-01  0.228665D+01 -0.245952D-01
      3   0.235249D+01 -0.113158D+00 -0.382006D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.616168D+01 -0.952233D+02 -0.206801D+00
      2   0.628208D+01  0.101207D+03  0.189599D+00
      3  -0.120401D+00 -0.598388D+01  0.172021D-01
      4  -0.925983D+02  0.634460D+01 -0.470656D+01
      5  -0.174758D+00  0.130175D+01 -0.209508D+00
      6  -0.910002D+01  0.154585D+00 -0.892085D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.782821D+01  0.746850D+00  0.393596D+01 -0.103573D+01 -0.287595D+01
      2   0.746850D+00 -0.247253D+01  0.282549D-01 -0.287595D+01  0.641986D+00
      3   0.393596D+01  0.282549D-01  0.533060D+00 -0.724164D+00  0.213581D+01
                 6             7             8             9            10 
      1  -0.724164D+00  0.319419D+01 -0.266696D+00  0.659113D+00 -0.123339D+01
      2   0.213581D+01 -0.266696D+00  0.158837D+01  0.113913D+01  0.774311D+00
      3   0.984970D+00  0.659113D+00  0.113913D+01 -0.542469D+00 -0.236133D+01
                11            12            13            14            15 
      1   0.774311D+00 -0.236133D+01  0.210229D+01  0.529536D+01 -0.891944D+00
      2   0.404492D+01 -0.123176D+00  0.529536D+01  0.270867D+01 -0.347901D+01
      3  -0.123176D+00  0.889517D+00 -0.891944D+00 -0.347901D+01 -0.240887D+00
                16            17            18            19            20 
      1  -0.180411D+01 -0.469514D+00  0.115003D+01 -0.235903D+01 -0.379601D+01
      2  -0.469514D+00 -0.275225D+01 -0.169220D+00 -0.379601D+01 -0.605737D+01
      3   0.115003D+01 -0.169220D+00  0.623034D+00  0.328084D+01  0.235368D+01
                21            22            23            24            25 
      1   0.328084D+01 -0.183515D+01 -0.398828D+01  0.124682D+01  0.189809D+01
      2   0.235368D+01 -0.398828D+01 -0.292037D+01  0.267341D+01  0.112163D+01
      3  -0.130693D+01  0.124682D+01  0.267341D+01 -0.158449D+01 -0.105644D+01
                26            27            28            29            30 
      1   0.112163D+01 -0.105644D+01  0.130782D+00  0.159552D+01 -0.253313D-02
      2   0.287966D+01 -0.179100D+01  0.159552D+01 -0.120436D+00 -0.162350D+01
      3  -0.179100D+01 -0.149181D+01 -0.253313D-02 -0.162350D+01  0.148463D-01
                31            32            33            34            35 
      1   0.154394D+01 -0.117459D+00  0.194470D+01  0.462298D-02 -0.537291D-01
      2  -0.117459D+00 -0.196677D+01  0.150223D-01 -0.537291D-01  0.758835D-02
      3   0.194470D+01  0.150223D-01  0.164967D+00  0.177069D-01  0.865872D-01
                36            37            38            39            40 
      1   0.177069D-01  0.196746D+01 -0.344707D+01 -0.311942D+01 -0.157066D+01
      2   0.865872D-01 -0.344707D+01  0.624700D+01  0.237559D+01  0.409354D+01
      3   0.254630D-02 -0.311942D+01  0.237559D+01  0.123989D+01  0.126693D+01
                41            42            43            44            45 
      1   0.409354D+01  0.126693D+01 -0.180593D+01  0.107112D+01  0.972392D+00
      2  -0.358689D+01 -0.285068D+01  0.107112D+01 -0.299163D+01 -0.183254D+01
      3  -0.285068D+01 -0.164165D+01  0.972392D+00 -0.183254D+01  0.149187D+01
                46            47            48            49            50 
      1   0.138718D+01  0.316784D+00  0.231397D+01  0.156957D+01 -0.525544D+01
      2   0.316784D+00 -0.398516D+01 -0.666666D-01 -0.525544D+01  0.335027D+01
      3   0.231397D+01 -0.666666D-01 -0.905102D+00 -0.832709D+00  0.352060D+01
                51            52            53            54            55 
      1  -0.832709D+00  0.174219D+01 -0.422689D+00 -0.115147D+01 -0.776586D+01
      2   0.352060D+01 -0.422689D+00  0.280258D+01 -0.129053D+00  0.130279D+01
      3  -0.211172D+00 -0.115147D+01 -0.129053D+00 -0.634784D+00 -0.395409D+01
                56            57            58            59            60 
      1   0.130279D+01 -0.395409D+01 -0.431805D+00  0.286665D+01 -0.642844D+00
      2   0.241101D+01  0.983315D-01  0.286665D+01  0.306762D+00 -0.210926D+01
      3   0.983315D-01 -0.480368D+00 -0.642844D+00 -0.210926D+01  0.101149D+01
                61            62            63            64            65 
      1  -0.319298D+01 -0.204961D+00 -0.601317D+00  0.945794D+01 -0.132853D+01
      2  -0.204961D+00 -0.155892D+01  0.116961D+01 -0.132853D+01 -0.126272D+01
      3  -0.601317D+00  0.116961D+01  0.547908D+00  0.470029D+01 -0.541506D+00
                66            67            68            69            70 
      1   0.470029D+01 -0.418542D+01 -0.518160D+00 -0.175637D+01  0.379530D+01
      2  -0.541506D+00 -0.518160D+00 -0.433599D+00  0.165700D+01  0.394610D-01
      3   0.225832D+01 -0.175637D+01  0.165700D+01 -0.617670D+00  0.220606D+01
                71            72            73            74            75 
      1   0.394610D-01  0.220606D+01 -0.974612D+01 -0.847902D+00 -0.479736D+01
      2   0.117953D+01 -0.174982D+00 -0.847902D+00  0.132299D+01 -0.407425D+00
      3  -0.174982D+00 -0.142513D+01 -0.479736D+01 -0.407425D+00 -0.228800D+01
                76            77            78            79            80 
      1  -0.369201D+01  0.724532D+00 -0.160704D+01 -0.380863D+01  0.146244D+00
      2   0.724532D+00 -0.509074D+00 -0.155935D+01  0.146244D+00 -0.119165D+01
      3  -0.160704D+01 -0.155935D+01 -0.507864D+00 -0.222094D+01 -0.760783D-01
                81            82            83            84            85 
      1  -0.222094D+01 -0.251737D+00  0.163682D+01  0.800893D+00  0.255686D+01
      2  -0.760783D-01  0.163682D+01  0.171825D+01 -0.112140D+01  0.420212D+01
      3   0.141780D+01  0.800893D+00 -0.112140D+01  0.134868D+01 -0.180775D+01
                86            87            88            89            90 
      1   0.420212D+01 -0.180775D+01  0.198047D+00 -0.102336D+01  0.210820D+01
      2   0.811447D+01 -0.497151D+01 -0.102336D+01 -0.305395D+01  0.973596D+00
      3  -0.497151D+01  0.123662D+01  0.210820D+01  0.973596D+00  0.488071D+00
                91            92            93            94            95 
      1  -0.117284D+01 -0.438999D+00 -0.230449D+01 -0.778666D+00 -0.194345D+01
      2  -0.438999D+00 -0.607407D+00  0.545426D+00 -0.194345D+01 -0.393878D+01
      3  -0.230449D+01  0.545426D+00 -0.152915D+01  0.538957D+00  0.443959D+01
                96            97            98            99           100 
      1   0.538957D+00 -0.287336D+01  0.115913D+01 -0.204514D+01  0.106628D+02
      2   0.443959D+01  0.115913D+01  0.602629D+01 -0.185704D+01 -0.207212D+01
      3  -0.920429D+00 -0.204514D+01 -0.185704D+01  0.195943D+00  0.313192D+01
               101           102           103           104           105 
      1  -0.207212D+01  0.313192D+01  0.183307D+00  0.995600D+00  0.326235D+00
      2   0.138272D+01 -0.515723D+00  0.995600D+00 -0.781374D+00  0.685254D+00
      3  -0.515723D+00  0.212160D+01  0.326235D+00  0.685254D+00 -0.181882D+00
               106           107           108           109           110 
      1   0.295780D+01 -0.554618D+00  0.243071D+01 -0.480173D+00 -0.786709D+00
      2  -0.554618D+00  0.628221D+00 -0.726570D+00 -0.786709D+00 -0.140968D+01
      3   0.243071D+01 -0.726570D+00  0.157263D+01  0.982574D+00  0.504117D+00
               111           112           113           114           115 
      1   0.982574D+00 -0.994180D+00 -0.201242D+00  0.898892D-01  0.122813D+01
      2   0.504117D+00 -0.201242D+00 -0.435105D+01  0.206887D+01 -0.227118D+00
      3  -0.862373D+00  0.898892D-01  0.206887D+01 -0.213937D+01  0.650145D-02
               116           117           118           119           120 
      1  -0.227118D+00  0.650145D-02  0.354609D+01 -0.245492D+01 -0.116906D+01
      2   0.190903D+01 -0.174777D+01 -0.245492D+01  0.257466D+01  0.562321D+00
      3  -0.174777D+01  0.220378D+01 -0.116906D+01  0.562321D+00  0.105277D+01
               121           122           123           124           125 
      1  -0.385633D+01  0.442819D+01  0.135364D+01 -0.142614D+01  0.114968D+01
      2   0.442819D+01 -0.682167D+01 -0.237893D+01  0.114968D+01 -0.187622D+01
      3   0.135364D+01 -0.237893D+01 -0.168141D+01  0.163394D+01 -0.171995D+01
               126           127           128           129           130 
      1   0.163394D+01  0.308668D+01  0.969611D+00 -0.161478D+01  0.214195D+01
      2  -0.171995D+01  0.969611D+00  0.109286D+01 -0.435216D+00  0.135750D+01
      3  -0.135866D+01 -0.161478D+01 -0.435216D+00  0.153995D+01 -0.795691D+00
               131           132           133           134           135 
      1   0.135750D+01 -0.795691D+00 -0.197005D+01 -0.138947D+00  0.153222D+01
      2   0.200294D+01 -0.136121D+01 -0.138947D+00 -0.116574D+01  0.768683D+00
      3  -0.136121D+01  0.167133D+01  0.153222D+01  0.768683D+00 -0.209100D+01
               136           137           138           139           140 
      1  -0.394767D+01 -0.259524D+01  0.125484D+01 -0.407226D+01 -0.442901D+01
      2  -0.259524D+01 -0.263398D+01  0.613828D+00 -0.442901D+01 -0.632059D+01
      3   0.125484D+01  0.613828D+00 -0.112619D+01  0.140389D+01  0.229285D+01
               141           142           143           144           145 
      1   0.140389D+01  0.153590D+01  0.117176D+01 -0.171153D+01 -0.290889D+01
      2   0.229285D+01  0.117176D+01  0.177798D+01 -0.165096D+01  0.998881D+00
      3  -0.163497D+01 -0.171153D+01 -0.165096D+01  0.136616D+01  0.156358D+01
               146           147           148           149           150 
      1   0.998881D+00  0.156358D+01  0.216450D+01 -0.142234D+01 -0.804113D+00
      2  -0.110383D+01 -0.444311D+00 -0.142234D+01  0.209005D+01  0.141060D+01
      3  -0.444311D+00 -0.146130D+01 -0.804113D+00  0.141060D+01  0.172995D+01
               151           152           153           154           155 
      1   0.197363D+01 -0.169197D+00 -0.149565D+01 -0.107991D+02 -0.170950D+01
      2  -0.169197D+00  0.117942D+01  0.834079D+00 -0.170950D+01 -0.124919D+01
      3  -0.149565D+01  0.834079D+00  0.209396D+01 -0.313561D+01 -0.411922D+00
               156           157           158           159           160 
      1  -0.313561D+01  0.582127D+00 -0.951954D+00  0.435636D+00 -0.301373D+01
      2  -0.411922D+00 -0.951954D+00 -0.628347D+00 -0.681489D+00 -0.458272D+00
      3  -0.212819D+01  0.435636D+00 -0.681489D+00 -0.872759D-01 -0.246376D+01
               161           162           163           164           165 
      1  -0.458272D+00 -0.246376D+01  0.375354D+00 -0.741270D+00 -0.958834D+00
      2  -0.588526D+00 -0.621701D+00 -0.741270D+00  0.128574D+01  0.453873D+00
      3  -0.621701D+00 -0.157722D+01 -0.958834D+00  0.453873D+00  0.764744D+00
               166           167           168           169           170 
      1  -0.100809D+01  0.902648D-01  0.434990D-01 -0.125181D+01 -0.253782D+00
      2   0.902648D-01 -0.442629D+01 -0.209167D+01 -0.253782D+00 -0.188977D+01
      3   0.434990D-01 -0.209167D+01 -0.217218D+01 -0.812469D-01 -0.174510D+01
               171           172           173           174           175 
      1  -0.812469D-01 -0.224776D+01  0.169520D+01  0.148637D+00  0.351757D+01
      2  -0.174510D+01  0.169520D+01 -0.228570D+01  0.388292D+00 -0.138700D+01
      3  -0.220342D+01  0.148637D+00  0.388292D+00 -0.394984D+00  0.140024D+01
               176           177           178           179           180 
      1  -0.138700D+01  0.140024D+01  0.176769D+01  0.486060D+00  0.318579D+00
      2   0.318225D+01 -0.211905D+00  0.486060D+00  0.642323D-01  0.677611D+00
      3  -0.211905D+00  0.117620D+01  0.318579D+00  0.677611D+00 -0.164502D+00
               181           182           183           184           185 
      1   0.162494D+01  0.379499D+00  0.277063D+00 -0.858430D-01 -0.669387D+00
      2   0.379499D+00 -0.593660D+00  0.523964D-01 -0.669387D+00  0.108392D+00
      3   0.277063D+00  0.523964D-01  0.722567D+00  0.193147D-01 -0.782446D+00
               186           187           188           189           190 
      1   0.193147D-01 -0.184078D+01 -0.216883D+00 -0.133109D+01  0.148421D+01
      2  -0.782446D+00 -0.216883D+00 -0.100596D+01  0.627599D+00  0.411059D-01
      3   0.131496D+00 -0.133109D+01  0.627599D+00 -0.701399D+01 -0.691331D+00
               191           192           193           194           195 
      1   0.411059D-01 -0.691331D+00 -0.172383D+01  0.852086D+00 -0.806014D-01
      2   0.211851D+01 -0.106949D+01  0.852086D+00 -0.579608D+01  0.873762D+00
      3  -0.106949D+01  0.742942D+00 -0.806014D-01  0.873762D+00 -0.102017D+01
               196           197           198           199           200 
      1  -0.970239D+00 -0.982757D+00  0.692617D+00 -0.333348D+00  0.297511D+00
      2  -0.982757D+00 -0.775147D+00 -0.160805D+00  0.297511D+00  0.783265D+00
      3   0.692617D+00 -0.160805D+00  0.255199D+00  0.443450D+00 -0.396335D+00
               201           202           203           204           205 
      1   0.443450D+00  0.651574D+00  0.119888D+01 -0.506609D+00  0.139800D+01
      2  -0.396335D+00  0.119888D+01  0.296450D+00  0.773280D-01  0.491601D+00
      3   0.293230D+00 -0.506609D+00  0.773280D-01  0.597356D+00 -0.327879D+00
               206           207           208           209           210 
      1   0.491601D+00 -0.327879D+00 -0.157288D+01 -0.364123D-01  0.637549D+00
      2   0.137812D+01 -0.136266D+01 -0.364123D-01 -0.237365D+01 -0.113439D+01
      3  -0.136266D+01  0.690097D+01  0.637549D+00 -0.113439D+01 -0.786687D+00
               211           212           213           214           215 
      1  -0.173885D+01 -0.102960D+01 -0.145513D+00  0.886561D+00 -0.981894D+00
      2  -0.102960D+01 -0.561257D+01 -0.811654D+00 -0.981894D+00  0.869826D+00
      3  -0.145513D+00 -0.811654D+00 -0.984179D+00 -0.697210D+00 -0.130895D+00
               216           217           218           219           220 
      1  -0.697210D+00  0.380701D+00  0.194189D+00 -0.482401D+00  0.525824D+00
      2  -0.130895D+00  0.194189D+00 -0.790467D+00 -0.378772D+00 -0.121769D+01
      3  -0.250755D+00 -0.482401D+00 -0.378772D+00 -0.269546D+00 -0.487192D+00
               221           222           223           224           225 
      1  -0.121769D+01 -0.487192D+00 -0.135550D+01  0.492446D+00  0.264222D+00
      2   0.430762D+00 -0.405888D-01  0.492446D+00 -0.142528D+01 -0.138520D+01
      3  -0.405888D-01  0.600113D+00  0.264222D+00 -0.138520D+01 -0.689878D+01
               226           227           228           229           230 
      1   0.253788D+01  0.175150D+01 -0.763808D-01  0.353780D+01  0.125029D+01
      2   0.175150D+01  0.224810D+01  0.406508D+00  0.125029D+01  0.310832D+01
      3  -0.763808D-01  0.406508D+00  0.440657D+00  0.143024D+01  0.843862D-01
               231           232           233           234           235 
      1   0.143024D+01 -0.172534D+01  0.571958D+00 -0.294516D+00 -0.158289D+01
      2   0.843862D-01  0.571958D+00 -0.141730D+00  0.703491D+00  0.500411D+00
      3   0.117926D+01 -0.294516D+00  0.703491D+00  0.159544D+00 -0.270755D+00
               236           237           238           239           240 
      1   0.500411D+00 -0.270755D+00  0.388428D-01  0.654689D+00  0.628811D-01
      2   0.560582D+00  0.968351D-01  0.654689D+00  0.238309D-01  0.777850D+00
      3   0.968351D-01 -0.715845D+00  0.628811D-01  0.777850D+00  0.161666D+00
               241           242           243           244           245 
      1   0.181838D+01 -0.252225D+00  0.135657D+01  0.110605D+01 -0.383733D+00
      2  -0.252225D+00  0.102562D+01  0.568788D+00 -0.383733D+00  0.456986D+00
      3   0.135657D+01  0.568788D+00  0.701049D+01  0.233867D+01  0.235286D+00
               246           247           248           249           250 
      1   0.233867D+01 -0.653946D+00  0.183194D+01  0.247417D+00  0.295734D+01
      2   0.235286D+00  0.183194D+01 -0.409118D+01 -0.446802D+01  0.760329D+00
      3   0.148381D+01  0.247417D+00 -0.446802D+01 -0.979062D+00  0.195948D+01
               251           252           253           254           255 
      1   0.760329D+00  0.195948D+01  0.475733D+00  0.136311D+01 -0.917303D+00
      2  -0.612566D+01 -0.194890D+01  0.136311D+01 -0.152906D+01 -0.870562D+00
      3  -0.194890D+01 -0.197658D+00 -0.917303D+00 -0.870562D+00 -0.130033D+01
               256           257           258           259           260 
      1   0.219188D+01 -0.401297D+01 -0.154828D+01 -0.265281D+00 -0.885053D+00
      2  -0.401297D+01  0.853700D+01  0.509895D+01 -0.885053D+00  0.314658D+01
      3  -0.154828D+01  0.509895D+01  0.129812D+01 -0.207321D+01  0.107012D+01
               261           262           263           264           265 
      1  -0.207321D+01  0.524947D+01  0.653831D+00 -0.248244D+01 -0.144451D-01
      2   0.107012D+01  0.653831D+00  0.240159D+01 -0.577714D+00  0.153161D+00
      3  -0.480002D+00 -0.248244D+01 -0.577714D+00  0.194688D+01  0.440626D+00
               266           267           268           269           270 
      1   0.153161D+00  0.440626D+00 -0.162368D+01  0.233343D+00  0.113082D+01
      2  -0.125130D+01  0.722030D+00  0.233343D+00  0.511460D+00 -0.343425D-01
      3   0.722030D+00 -0.409738D+00  0.113082D+01 -0.343425D-01 -0.174616D+01
               271           272           273           274           275 
      1  -0.497651D+00 -0.595733D+00 -0.677982D+00  0.641759D-01 -0.955015D+00
      2  -0.595733D+00 -0.239888D+01  0.111770D+01 -0.955015D+00 -0.272785D+00
      3  -0.677982D+00  0.111770D+01 -0.197755D+01  0.454897D+00 -0.134007D+00
               276           277           278           279           280 
      1   0.454897D+00 -0.100119D+01 -0.630513D-01 -0.517234D+00  0.413819D+01
      2  -0.134007D+00 -0.630513D-01 -0.147786D+01  0.123496D+01  0.116837D+01
      3   0.462413D+00 -0.517234D+00  0.123496D+01 -0.553861D+01  0.162063D+01
               281           282           283           284           285 
      1   0.116837D+01  0.162063D+01  0.506739D+00  0.121103D+01  0.106830D+00
      2   0.211125D+01  0.396784D+00  0.121103D+01  0.855163D+00  0.320030D+00
      3   0.396784D+00  0.146751D+01  0.106830D+00  0.320030D+00  0.264017D+00
               286           287           288           289           290 
      1   0.258650D+01  0.477037D+00  0.171943D+01  0.965366D+00  0.170258D+01
      2   0.477037D+00  0.904655D+00  0.924023D+00  0.170258D+01  0.117590D+01
      3   0.171943D+01  0.924023D+00  0.217698D+01 -0.399765D+00 -0.534225D+00
               291           292           293           294           295 
      1  -0.399765D+00  0.150956D+01  0.169558D+01 -0.597242D+00 -0.455753D+00
      2  -0.534225D+00  0.169558D+01  0.906813D+01 -0.293636D+01 -0.130165D+01
      3   0.479352D+00 -0.597242D+00 -0.293636D+01  0.196967D+01  0.998997D+00
               296           297           298           299           300 
      1  -0.130165D+01  0.998997D+00 -0.752179D+00  0.162538D+01  0.356050D+00
      2  -0.504475D+01  0.310191D+01  0.162538D+01 -0.914761D+00 -0.417204D+00
      3   0.310191D+01 -0.254956D+01  0.356050D+00 -0.417204D+00 -0.389197D+00
               301           302           303           304           305 
      1   0.140727D+01 -0.142918D+01 -0.482845D+00  0.352020D+00 -0.109180D+01
      2  -0.142918D+01  0.924745D+01  0.297982D+01 -0.109180D+01  0.515743D+01
      3  -0.482845D+00  0.297982D+01  0.198791D+01 -0.859377D+00  0.314368D+01
               306           307           308           309           310 
      1  -0.859377D+00 -0.400564D+01  0.121294D+01 -0.159105D+01  0.585425D+00
      2   0.314368D+01  0.121294D+01 -0.212707D+01  0.468708D+00 -0.122411D+01
      3   0.254915D+01 -0.159105D+01  0.468708D+00 -0.144874D+01  0.171398D+00
               311           312           313           314           315 
      1  -0.122411D+01  0.171398D+00 -0.253779D+01  0.564469D+00 -0.167076D+01
      2   0.112790D+01 -0.319146D+00  0.564469D+00 -0.904168D+00  0.101448D+01
      3  -0.319146D+00  0.335931D+00 -0.167076D+01  0.101448D+01 -0.217065D+01
               316           317           318           319           320 
      1  -0.520548D+01  0.772881D+00  0.247320D+01  0.167126D+00 -0.232633D+00
      2   0.772881D+00 -0.245331D+01 -0.718113D+00 -0.232633D+00 -0.102295D+01
      3   0.247320D+01 -0.718113D+00 -0.196619D+01  0.299914D+00 -0.709169D+00
               321           322           323           324           325 
      1   0.299914D+00  0.163405D+01  0.124206D+00 -0.113208D+01  0.457606D+00
      2  -0.709169D+00  0.124206D+00 -0.544173D+00  0.167110D-01 -0.465922D+00
      3  -0.322824D+00 -0.113208D+01  0.167110D-01  0.174678D+01  0.746796D+00
               326           327           328           329           330 
      1  -0.465922D+00  0.746796D+00  0.128895D+00  0.959454D+00  0.426956D+00
      2   0.243252D+01  0.108973D+01  0.959454D+00 -0.469117D+00  0.632349D-01
      3   0.108973D+01  0.199636D+01  0.426956D+00  0.632349D-01  0.373733D+00
               331           332           333 
      1   0.993849D+00 -0.422727D-01  0.573230D+00
      2  -0.422727D-01  0.147678D+01  0.120972D+01
      3   0.573230D+00  0.120972D+01  0.553235D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.418196D+00  0.227790D+01 -0.265920D+01  0.345152D+01  0.571758D+01
      2   0.112714D+01 -0.849778D+00  0.907299D+01 -0.135624D+01 -0.118390D+02
      3  -0.400735D+01 -0.101465D+02 -0.166720D+01 -0.654340D+01  0.437347D+01
                 6             7             8             9            10 
      1  -0.231766D+01 -0.549782D+00 -0.343420D+00 -0.130500D+01 -0.444612D+01
      2  -0.338511D+01  0.248689D+01  0.411164D+00  0.984789D+00  0.104656D+02
      3   0.840763D+01 -0.101983D+01  0.935559D+01  0.359804D+01  0.486190D+01
                11            12            13            14            15 
      1   0.407358D+01  0.176069D-01  0.383647D+01 -0.111260D+01 -0.729050D+01
      2  -0.302815D+01  0.395655D+01 -0.436008D+01  0.263763D+00  0.575364D+01
      3   0.659766D+01  0.683015D+01  0.977517D+01 -0.519478D+01 -0.568851D+01
                16            17            18            19            20 
      1  -0.110203D+01 -0.130544D+01 -0.242899D-01 -0.170314D+00 -0.999437D+00
      2   0.126075D+01  0.121654D+01 -0.116338D+01 -0.149059D+02 -0.877178D+01
      3   0.759212D+01 -0.579005D+01 -0.348232D+01 -0.175793D+02 -0.154246D+02
                21            22            23            24            25 
      1   0.661443D+01  0.777362D+01  0.217072D+02 -0.543454D+01  0.139891D+02
      2   0.178185D+01 -0.326423D+01  0.377707D+01 -0.509895D+01 -0.121522D+02
      3   0.607125D+01  0.651077D+01  0.215091D+02 -0.739821D+01  0.335829D+01
                26            27            28            29            30 
      1   0.186930D+02 -0.212449D+02 -0.152020D+00 -0.301420D+01  0.118447D-01
      2  -0.113656D+02  0.119196D+02 -0.252782D+01  0.123713D+00 -0.489921D+01
      3  -0.952869D+00 -0.806284D-01 -0.905856D-01  0.784957D+01 -0.529348D-02
                31            32            33            34            35 
      1  -0.115872D+01  0.206853D+00  0.598619D+01  0.567293D-02 -0.996690D+01
      2   0.685172D-02  0.507586D+00  0.114735D+00  0.107890D+02  0.158144D+00
      3  -0.992638D+01 -0.549085D-01  0.112099D+01  0.820112D-01  0.861758D+00
                36            37            38            39            40 
      1   0.114070D+00 -0.123633D+00 -0.160753D+01 -0.673042D+01  0.683948D+01
      2  -0.173008D+00 -0.142816D+02  0.960713D+01  0.232699D+01  0.383864D+01
      3  -0.994675D-01  0.170505D+02 -0.171132D+02 -0.641552D+01  0.463174D+01
                41            42            43            44            45 
      1  -0.217430D+02 -0.486401D+01 -0.136642D+02  0.198171D+02  0.217133D+02
      2   0.408199D+01  0.514716D+01 -0.109795D+02  0.109229D+02  0.108791D+02
      3  -0.208601D+02 -0.698218D+01 -0.345881D+01 -0.682693D+00  0.153762D+00
                46            47            48            49            50 
      1   0.525279D+01  0.407873D+01 -0.199118D+00  0.381495D+01  0.779392D+00
      2   0.105642D+02  0.243081D+01  0.368946D+01  0.369966D+01 -0.380626D-01
      3  -0.416064D+01  0.706753D+01 -0.708942D+01  0.101314D+02  0.442413D+01
                51            52            53            54            55 
      1  -0.753972D+01  0.109798D+01 -0.145204D+01 -0.471778D-01 -0.166092D+00
      2  -0.561418D+01  0.110037D+01 -0.122571D+01 -0.122083D+01  0.121576D+01
      3  -0.539015D+01 -0.777564D+01 -0.555590D+01  0.350900D+01  0.333071D+01
                56            57            58            59            60 
      1   0.204401D+01  0.293836D+01  0.321245D+01 -0.644084D+01 -0.230513D+01
      2   0.194366D+00  0.908747D+01  0.630670D+00 -0.116132D+02  0.309365D+01
      3  -0.104757D+02  0.205702D+01 -0.679312D+01 -0.371985D+01  0.833255D+01
                61            62            63            64            65 
      1   0.600973D+00 -0.367786D+00  0.134171D+01 -0.535923D+01 -0.960574D+01
      2   0.240502D+01 -0.466577D+00  0.929478D+00  0.203162D+02 -0.176250D+01
      3   0.147259D+01  0.926306D+01 -0.360993D+01  0.815694D+01  0.849556D+01
                66            67            68            69            70 
      1  -0.402208D+01 -0.184574D+02  0.323995D+01 -0.823220D+01 -0.209460D+01
      2   0.121204D+01  0.431680D+01  0.512598D+01  0.468770D+01 -0.277172D+02
      3   0.321330D+01  0.292651D+02 -0.358137D+01  0.908975D+01 -0.979458D+00
                71            72            73            74            75 
      1   0.220870D+01  0.123345D+00  0.502812D+01 -0.984384D+01  0.373212D+01
      2   0.323593D+01 -0.250307D+02  0.198692D+02  0.159433D+01  0.777234D+00
      3   0.390772D+01  0.837197D-01 -0.654685D+01  0.892317D+01 -0.285553D+01
                76            77            78            79            80 
      1  -0.189360D+02 -0.187992D+01 -0.855718D+01  0.103103D+01  0.202839D+01
      2  -0.407410D+01  0.539473D+01 -0.436560D+01 -0.279798D+02 -0.216461D+01
      3   0.296653D+02  0.209343D+01  0.916012D+01  0.105118D+01  0.381465D+01
                81            82            83            84            85 
      1  -0.120048D+01 -0.388055D+01  0.302122D+01  0.177176D+01  0.327300D+01
      2  -0.250168D+02 -0.147001D+02 -0.144478D+02  0.131368D+02 -0.475338D+01
      3  -0.777182D-01 -0.193470D+02 -0.225525D+02  0.141145D+02 -0.123626D+01
                86            87            88            89            90 
      1   0.164755D+02  0.188990D+01  0.883790D+01  0.239378D+02 -0.142321D+02
      2   0.867361D+00 -0.445888D+01 -0.385456D+01 -0.144868D+02  0.116806D+02
      3   0.137052D+02 -0.158568D+01  0.651000D+01 -0.187096D+01  0.305056D+01
                91            92            93            94            95 
      1   0.810610D+01  0.309383D+01  0.636524D+01  0.416957D+01 -0.102903D+02
      2  -0.202320D+01  0.889252D+00 -0.505360D-01 -0.885250D-01  0.231712D+01
      3  -0.610357D+01 -0.130305D+01 -0.638559D+01  0.437194D+01 -0.211149D+00
                96            97            98            99           100 
      1  -0.481609D+01  0.458911D+01 -0.287731D+01  0.185377D+01  0.128062D+01
      2  -0.418278D+00 -0.334685D+01  0.475973D+00 -0.344586D+00 -0.297431D+01
      3  -0.674687D+01 -0.107432D+02 -0.718854D+01 -0.535115D+01 -0.853317D+01
               101           102           103           104           105 
      1   0.183294D+01  0.301397D+01 -0.305771D+00  0.117849D+01 -0.102348D+01
      2   0.143759D+01  0.488289D+01 -0.199414D+01  0.184327D+01 -0.144523D+01
      3  -0.380369D+01 -0.344860D+01 -0.586265D+00 -0.571094D+00 -0.168147D+01
               106           107           108           109           110 
      1   0.209966D+01  0.102133D+01  0.135951D+01  0.140174D+01 -0.140123D+01
      2   0.211028D+01 -0.478622D+00  0.234466D+01  0.483686D+01  0.221446D+01
      3  -0.148955D+01 -0.267169D+01 -0.107271D+01  0.506662D+01  0.547375D+01
               111           112           113           114           115 
      1  -0.191774D+01 -0.337022D+00 -0.140197D+01 -0.297754D+01 -0.365948D+00
      2  -0.355076D+01  0.143940D+01  0.637596D+01 -0.612995D+01 -0.323996D+01
      3  -0.349773D+01  0.481491D+01  0.125546D+02 -0.619574D+01 -0.191504D+01
               116           117           118           119           120 
      1   0.593689D-01  0.220195D+01 -0.742295D+00 -0.227113D+00  0.207667D+01
      2  -0.484680D+01  0.591658D+01 -0.109759D+01  0.702313D+00  0.361139D+01
      3  -0.529498D+01  0.563402D+01  0.415289D+00 -0.378040D+01 -0.363799D-01
               121           122           123           124           125 
      1  -0.246627D+01  0.266585D+01 -0.249682D+01  0.125670D+01 -0.491968D+00
      2  -0.273321D+01 -0.724028D+00 -0.371733D+01  0.870405D+00 -0.284126D+01
      3  -0.604028D+00  0.920015D+01  0.379936D+01  0.160581D+01  0.248618D+01
               126           127           128           129           130 
      1  -0.136125D+01 -0.422492D+01 -0.166456D+01  0.269070D+01 -0.255670D+01
      2  -0.207957D+01 -0.211441D+01  0.256072D+00  0.370981D+01  0.937606D+00
      3   0.105341D+01 -0.742147D+01 -0.603729D+01  0.417673D+01 -0.635409D+01
               131           132           133           134           135 
      1  -0.573495D+01  0.365494D+01  0.261478D+01  0.430043D+01 -0.410770D+01
      2  -0.335047D+01  0.547318D+01  0.130434D+01  0.261881D+01 -0.467451D+01
      3  -0.110683D+02  0.575137D+01  0.387057D+01  0.426053D+01 -0.563384D+01
               136           137           138           139           140 
      1   0.578302D+00 -0.382141D+00 -0.201466D+01 -0.248657D+01 -0.258505D+01
      2  -0.101994D+01 -0.689129D+00  0.386310D+01  0.283949D+01 -0.699693D+00
      3  -0.588953D+00 -0.413773D+01  0.209148D+00 -0.100265D+01 -0.900462D+01
               141           142           143           144           145 
      1  -0.224665D+01 -0.122566D+01 -0.315522D+00  0.128648D+01  0.396310D+01
      2   0.365991D+01  0.103806D+01  0.281369D+01 -0.215967D+01 -0.237294D+01
      3   0.379267D+01 -0.149560D+01  0.253556D+01 -0.106081D+01  0.691642D+01
               146           147           148           149           150 
      1  -0.163482D+01 -0.236602D+01 -0.255781D+01  0.557776D+01  0.350468D+01
      2  -0.251796D+00  0.355464D+01 -0.894893D+00 -0.347179D+01 -0.576504D+01
      3  -0.594314D+01 -0.392315D+01 -0.626185D+01  0.112319D+02  0.591300D+01
               151           152           153           154           155 
      1  -0.235983D+01  0.429378D+01  0.389472D+01 -0.134446D+01  0.177349D+01
      2   0.125516D+01 -0.287566D+01 -0.487437D+01 -0.286605D+01 -0.129904D+01
      3  -0.368094D+01  0.443194D+01  0.563136D+01  0.831920D+01 -0.412595D+01
               156           157           158           159           160 
      1  -0.284058D+01 -0.235315D+00 -0.120064D+01 -0.836890D+00 -0.194499D+01
      2   0.507085D+01  0.223902D+01  0.188954D+01  0.126468D+01  0.220112D+01
      3   0.336715D+01 -0.883867D+00  0.844395D+00 -0.183018D+01  0.135230D+01
               161           162           163           164           165 
      1   0.113762D+01 -0.126458D+01 -0.126869D+01 -0.137262D+01  0.163775D+01
      2   0.323825D+00  0.241878D+01  0.475675D+01 -0.208379D+01 -0.334953D+01
      3  -0.274665D+01  0.107896D+01 -0.465329D+01  0.514799D+01  0.322892D+01
               166           167           168           169           170 
      1  -0.269394D+00  0.175909D+01 -0.278529D+01  0.235312D+00  0.256512D+00
      2  -0.138011D+01  0.647044D+01  0.640207D+01 -0.305139D+01  0.497752D+01
      3   0.451480D+01 -0.130044D+02 -0.634943D+01  0.169678D+01 -0.538532D+01
               171           172           173           174           175 
      1  -0.195131D+01 -0.182959D+01  0.280895D+01 -0.614799D-01  0.450005D+01
      2   0.600273D+01 -0.142058D+01  0.171579D+01  0.200520D+01  0.535598D+01
      3  -0.563008D+01  0.235816D+01 -0.479735D+01  0.160571D+00 -0.440555D+01
               176           177           178           179           180 
      1  -0.661745D+01  0.498571D+00  0.174305D+01 -0.426376D+00 -0.151376D+00
      2  -0.144205D+01  0.290084D+00  0.369222D+01 -0.108467D+01  0.805756D+00
      3   0.915738D+01 -0.174204D+01 -0.126417D+01  0.173255D+01  0.219022D+00
               181           182           183           184           185 
      1  -0.197080D+01 -0.754644D+00 -0.914645D+00 -0.965674D-01 -0.556212D+00
      2  -0.632721D+00  0.602697D+00 -0.369662D+01 -0.695007D+00  0.190025D+01
      3   0.148838D+01 -0.299067D-01  0.462402D+00  0.801467D+00  0.544971D+00
               186           187           188           189           190 
      1   0.715346D+00  0.873347D+00  0.264405D+01 -0.585817D+00  0.782700D+00
      2  -0.471522D+00  0.219319D+00 -0.215533D+01  0.151405D+02 -0.275626D+01
      3  -0.160405D+01 -0.116157D+01 -0.228841D+01  0.159459D+01 -0.335803D+01
               191           192           193           194           195 
      1   0.494417D+01 -0.116374D+01  0.113834D+01 -0.683430D+01 -0.117377D+01
      2   0.207933D+01  0.103639D+00  0.257326D+01 -0.309611D+01  0.131264D+01
      3   0.503084D+01 -0.177226D+01  0.522259D+01 -0.854825D+01  0.135720D+01
               196           197           198           199           200 
      1  -0.875123D+00 -0.362724D+01  0.190544D+00  0.155681D+00 -0.175250D+01
      2  -0.206880D+00  0.609748D+00 -0.570344D+00 -0.153522D+01  0.511432D+00
      3   0.570930D+00 -0.170977D+01 -0.431186D+00 -0.107740D+01 -0.115075D+01
               201           202           203           204           205 
      1   0.149263D+01 -0.129477D+01 -0.548115D+00  0.311603D+01 -0.295914D+00
      2  -0.117029D+01 -0.557706D+00 -0.101130D+01 -0.682551D+00 -0.284471D+01
      3  -0.108390D+01 -0.271501D+00 -0.963515D+00  0.132586D+01 -0.254454D+01
               206           207           208           209           210 
      1  -0.811548D+00  0.123909D+02 -0.622658D+00  0.517696D+01  0.109968D+01
      2   0.128274D+01 -0.873074D+01 -0.296834D+01 -0.231779D+01  0.963271D-02
      3   0.200482D+00 -0.135216D+01  0.388397D+01  0.522063D+01  0.182208D+01
               211           212           213           214           215 
      1   0.134899D+01  0.641977D+01 -0.128557D+01  0.705666D+00 -0.370458D+01
      2  -0.263614D+01 -0.316699D+01 -0.125665D+01 -0.247999D+00 -0.431444D+00
      3   0.543207D+01  0.809414D+01  0.126531D+01 -0.660201D+00 -0.168856D+01
               216           217           218           219           220 
      1  -0.212570D+00 -0.360556D+00 -0.173768D+01 -0.140691D+01 -0.122054D+01
      2  -0.562457D+00 -0.152221D+01 -0.413823D+00 -0.108199D+01  0.640239D+00
      3   0.428212D+00  0.101626D+01 -0.114426D+01  0.114718D+01 -0.276670D+00
               221           222           223           224           225 
      1   0.635292D+00  0.318203D+01  0.131270D+00 -0.897860D+00 -0.127544D+02
      2  -0.105121D+01  0.582934D+00 -0.289922D+01 -0.113298D+01 -0.817637D+01
      3   0.103227D+01  0.127576D+01  0.255090D+01  0.981196D-01  0.136966D+01
               226           227           228           229           230 
      1   0.205176D+01  0.288971D+01  0.147198D+00  0.434332D+01  0.661627D+01
      2  -0.179696D+01 -0.186228D+01  0.200744D+01 -0.550185D+01 -0.151682D+01
      3  -0.271773D+01 -0.501588D+01 -0.210177D+00 -0.451729D+01 -0.934140D+01
               231           232           233           234           235 
      1   0.337486D+00 -0.158159D+01 -0.376288D+00  0.204952D+00  0.188831D+01
      2  -0.348110D+00  0.380666D+01  0.963889D+00  0.798625D+00 -0.701583D+00
      3  -0.151010D+01  0.130849D+01  0.181888D+01 -0.264559D+00 -0.144517D+01
               236           237           238           239           240 
      1  -0.825460D+00  0.784318D+00 -0.119085D+00  0.665007D+00  0.703060D+00
      2  -0.451851D+00 -0.370663D+01  0.819367D+00  0.186659D+01  0.597574D+00
      3   0.107658D-01 -0.528035D+00  0.838513D+00 -0.568725D+00 -0.158667D+01
               241           242           243           244           245 
      1  -0.746831D+00  0.276063D+01  0.123177D+01 -0.781130D+01  0.390254D+01
      2   0.358981D+00  0.202183D+01  0.150944D+02 -0.170035D+01 -0.862029D+00
      3   0.106529D+01 -0.233633D+01 -0.158583D+01  0.621842D+01 -0.160302D+01
               246           247           248           249           250 
      1  -0.655281D+01  0.492291D+01  0.995781D+01 -0.453796D+01 -0.484861D+01
      2   0.258281D+00  0.501020D-01  0.188768D+01  0.606560D+00 -0.315857D+01
      3   0.605952D+01  0.416729D+01  0.267358D+00 -0.695182D+01  0.104077D+02
               251           252           253           254           255 
      1  -0.263926D+01 -0.185748D+01  0.348458D+01  0.283658D+01 -0.102928D+01
      2  -0.191338D+00 -0.248688D+00 -0.139452D+02  0.150461D+02  0.133860D+02
      3  -0.771489D+01  0.533712D+01  0.181451D+02 -0.240827D+02 -0.141715D+02
               256           257           258           259           260 
      1   0.259019D+01 -0.168982D+02  0.205064D+01 -0.786366D+01  0.248828D+02
      2   0.523598D+01  0.685312D+00  0.372019D+01 -0.290458D+01  0.135021D+02
      3  -0.258694D+01 -0.127118D+02 -0.941043D+00 -0.653186D+01 -0.164166D+01
               261           262           263           264           265 
      1   0.146738D+02  0.508888D+01 -0.300859D+01 -0.368864D+01 -0.176917D+01
      2   0.110024D+02  0.691313D+01  0.667075D+00 -0.141446D+01 -0.243690D+01
      3  -0.307891D+01  0.118953D+02 -0.264220D+01 -0.526479D+01 -0.353533D+01
               266           267           268           269           270 
      1   0.245370D+01  0.674583D-01 -0.300254D+01  0.134532D+01  0.266758D+01
      2  -0.116176D+01  0.913752D+00 -0.665655D+00  0.267367D+00  0.411425D+00
      3   0.148826D+01  0.187836D+01 -0.226512D+01  0.205074D+00  0.288557D+01
               271           272           273           274           275 
      1   0.986299D+00  0.270910D+00  0.388157D+01 -0.674986D+00 -0.250899D-02
      2  -0.109055D+01  0.345562D+01 -0.488923D+01  0.152766D+01  0.936988D+00
      3  -0.333922D+00  0.292381D+01 -0.318299D+01  0.200213D+01  0.117882D+01
               276           277           278           279           280 
      1  -0.188735D+00  0.802359D+00  0.349295D+00  0.883431D+01 -0.657874D+01
      2  -0.439142D+00 -0.260470D+01  0.200193D+01 -0.764103D+01  0.243235D+01
      3   0.114128D+00 -0.124602D+01  0.194933D+01 -0.231007D+01  0.137796D+02
               281           282           283           284           285 
      1  -0.128139D+01 -0.530811D+01 -0.451189D+00 -0.112712D+01 -0.914214D+00
      2   0.533408D+00  0.346589D+01  0.113251D+00  0.548540D+00  0.878534D-01
      3  -0.809210D+00  0.573673D+01 -0.750755D-01  0.453937D+01 -0.283493D+00
               286           287           288           289           290 
      1  -0.607881D+01 -0.894755D+00 -0.855967D+01  0.970514D-01  0.289087D+00
      2   0.128182D+01  0.131179D+01  0.328659D+01  0.193101D+00  0.371016D+00
      3   0.923145D+01 -0.406630D+00  0.482954D+01  0.190981D+01  0.351759D+01
               291           292           293           294           295 
      1  -0.167291D+01  0.169474D+01  0.394698D+01 -0.690587D+01 -0.146921D+01
      2   0.723012D+00  0.263677D+00 -0.161857D+01  0.162936D+01 -0.820253D+00
      3  -0.102760D+01  0.506868D+01 -0.259293D+01  0.112746D+00 -0.942812D+00
               296           297           298           299           300 
      1  -0.190761D+01  0.679293D+01 -0.278926D-01  0.766307D-01  0.137933D+01
      2   0.150661D+01 -0.171482D+01  0.158344D+00 -0.453325D+00  0.585144D+00
      3   0.345369D+01  0.292679D+00 -0.151344D+01  0.371279D+01  0.104679D+01
               301           302           303           304           305 
      1   0.150534D+01 -0.410108D+01 -0.703958D+01  0.133851D+01 -0.204609D+01
      2  -0.406713D+00 -0.140169D+01 -0.134795D+01 -0.947456D+00 -0.138515D+01
      3   0.524322D+01  0.217906D+01  0.603591D-01  0.110966D+01  0.342931D+01
               306           307           308           309           310 
      1  -0.687000D+01  0.655595D+01 -0.166365D+01  0.536918D+01 -0.754189D+00
      2  -0.141444D+01  0.210247D+01 -0.577929D+00  0.321172D+01 -0.175275D+00
      3  -0.284711D+00 -0.137514D+02 -0.214708D+00 -0.567827D+01  0.427674D+00
               311           312           313           314           315 
      1   0.104825D+01 -0.121611D+01  0.603520D+01 -0.133891D+01  0.864945D+01
      2   0.482622D+00 -0.201199D+00  0.943953D+00 -0.133188D+01  0.289255D+01
      3  -0.424415D+01  0.722426D-01 -0.918236D+01  0.197038D+00 -0.476456D+01
               316           317           318           319           320 
      1  -0.499107D+01 -0.277492D+01  0.362795D+01 -0.155903D+01 -0.206129D+01
      2   0.723331D+01 -0.933359D+00 -0.161185D+01  0.220733D+01 -0.119210D+01
      3  -0.121341D+02 -0.187267D+01  0.535938D+01 -0.302783D+01 -0.752073D+00
               321           322           323           324           325 
      1  -0.128792D+00  0.298231D+01  0.114558D+01 -0.264985D+01 -0.104925D+01
      2  -0.848369D+00 -0.796299D+00 -0.264234D+00  0.524705D+00 -0.124216D+01
      3   0.166128D+01  0.221042D+01  0.335801D-01 -0.287918D+01  0.552475D+00
               326           327           328           329           330 
      1   0.160833D+00 -0.410394D+01 -0.696842D+00  0.863808D-01  0.179124D-01
      2  -0.337793D+01 -0.467881D+01 -0.142647D+01  0.117202D+01  0.656383D+00
      3   0.284810D+01  0.318255D+01  0.193537D+01 -0.142614D+01 -0.340004D-01
               331           332           333 
      1  -0.902137D+00  0.295929D+00 -0.914662D+01
      2  -0.263856D+01 -0.189227D+01 -0.722614D+01
      3   0.131023D+01  0.189086D+01  0.230061D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.412055D+02 -0.677868D+01 -0.234649D+02 -0.151752D+01  0.181829D+02
      2   0.264340D+02  0.858974D+01  0.131560D+02  0.533277D+01 -0.935725D+01
      3   0.147715D+02 -0.181106D+01  0.103089D+02 -0.381525D+01 -0.882561D+01
      4  -0.161671D+02  0.869383D+01 -0.825968D+01  0.115832D+02  0.588799D+01
      5  -0.264968D+02 -0.194437D+01 -0.571511D+01  0.382601D+01 -0.804344D+01
      6  -0.728724D+01  0.544561D+01 -0.302138D-01  0.421277D+01 -0.891643D+01
                 6             7             8             9            10 
      1   0.746914D+01 -0.191931D+02  0.568248D+01 -0.646819D+00  0.104793D+02
      2  -0.949036D+01  0.110367D+02 -0.780497D+01 -0.341116D+01 -0.685343D+01
      3   0.202123D+01  0.815641D+01  0.212249D+01  0.405798D+01 -0.362591D+01
      4  -0.786260D+01 -0.468095D+01 -0.640338D+01 -0.382212D+01 -0.232209D+00
      5  -0.436842D+01 -0.637202D+01 -0.344784D+01  0.371668D+01  0.107126D+02
      6  -0.936420D+01  0.937557D-01 -0.729009D+01  0.331115D+00  0.803974D+01
                11            12            13            14            15 
      1   0.266873D+01  0.132652D+02  0.991880D+00 -0.161453D+02 -0.289889D+01
      2  -0.109205D+02 -0.548648D+01 -0.113290D+02  0.367804D+01  0.982631D+01
      3   0.825176D+01 -0.777869D+01  0.103372D+02  0.124672D+02 -0.692742D+01
      4  -0.214022D+02  0.651896D+01 -0.267181D+02 -0.232010D+02  0.179569D+02
      5  -0.315255D+00 -0.916534D+01  0.162244D+01  0.204521D+02  0.372479D+01
      6   0.462448D+01 -0.813607D+00  0.996753D+01  0.117055D+02 -0.325870D+01
                16            17            18            19            20 
      1   0.985706D+01 -0.414083D+01 -0.533562D+01  0.193430D+00  0.260952D+01
      2  -0.331136D+01  0.938557D+01  0.214360D+01 -0.400546D+01  0.217975D+01
      3  -0.654570D+01 -0.524475D+01  0.319201D+01  0.381203D+01 -0.478927D+01
      4   0.493582D+01  0.139649D+02  0.631391D+00  0.616660D+01  0.134878D+02
      5  -0.785233D+01  0.218747D+01 -0.301485D+01 -0.365502D+01 -0.246539D+01
      6  -0.150452D+01 -0.404208D+01 -0.322776D+01 -0.769451D+01 -0.620561D+01
                21            22            23            24            25 
      1  -0.685795D+01 -0.153252D+01  0.137251D+02 -0.449491D+00 -0.165891D+01
      2   0.431920D+01  0.407579D+01 -0.165568D+02  0.220598D+01  0.192701D+01
      3   0.253875D+01 -0.254327D+01  0.283166D+01 -0.175649D+01 -0.268097D+00
      4  -0.875410D+01  0.866110D+01  0.807450D+01 -0.492353D+01 -0.478494D+01
      5   0.518463D+01 -0.108112D+01 -0.654738D+01  0.261252D+01  0.501722D+01
      6   0.201962D+01 -0.655823D+01 -0.762883D+00  0.576151D+01  0.853800D+00
                26            27            28            29            30 
      1  -0.921161D+00  0.920095D+01 -0.109629D+02  0.546629D-01  0.539855D+01
      2   0.863720D+00  0.434973D+01  0.265723D+01 -0.681069D-01 -0.644891D+01
      3   0.574413D-01 -0.135507D+02  0.830566D+01  0.134440D-01  0.105037D+01
      4  -0.211371D+01  0.132426D+01  0.904535D-02 -0.611215D+01 -0.405176D+00
      5   0.401163D+00  0.519927D+01  0.366431D+01 -0.261051D+00 -0.296199D+01
      6   0.407576D+01  0.502685D+01 -0.281090D+00 -0.399396D+01  0.396717D-02
                31            32            33            34            35 
      1  -0.256271D-01  0.287384D+01 -0.432599D+00  0.848152D+01 -0.594773D+00
      2   0.341699D-01 -0.102295D+02  0.484140D+00 -0.917712D+01  0.610816D+00
      3  -0.854279D-02  0.735568D+01 -0.515410D-01  0.695598D+00 -0.160434D-01
      4  -0.713792D+01  0.253999D-01 -0.697962D+01 -0.636200D+00 -0.940663D+01
      5  -0.259258D+00 -0.442523D+01  0.931060D-02  0.415920D+01  0.165219D-02
      6  -0.409640D+01  0.248442D+00 -0.291414D+01  0.804989D-02  0.331880D+01
                36            37            38            39            40 
      1   0.644727D+00 -0.297883D+00 -0.874012D+00 -0.605557D+01  0.288067D+01
      2   0.788999D+00 -0.380691D+01 -0.388619D+01  0.346217D+01 -0.535885D+01
      3  -0.143373D+01  0.410479D+01  0.476021D+01  0.259340D+01  0.247818D+01
      4   0.101815D-01 -0.540137D+01  0.132882D+02  0.897935D+01  0.818802D+01
      5   0.711483D+00 -0.320631D+01  0.205186D+01  0.498118D+01  0.620292D+00
      6  -0.468529D-01  0.726331D+01 -0.656229D+01 -0.200308D+01 -0.686036D+01
                41            42            43            44            45 
      1   0.129031D+02  0.275787D+00 -0.119830D+01  0.789850D+00  0.908497D+01
      2  -0.154323D+02 -0.188160D+01  0.148988D+01 -0.708671D+00  0.445534D+01
      3   0.252919D+01  0.160581D+01 -0.291581D+00 -0.811794D-01 -0.135403D+02
      4  -0.103857D+02 -0.542400D+01  0.481865D+01 -0.238195D+01 -0.151489D+01
      5  -0.662940D+01 -0.255150D+01  0.494213D+01 -0.407265D+00  0.496895D+01
      6   0.169622D+01  0.597772D+01 -0.888849D+00  0.412250D+01 -0.527902D+01
                46            47            48            49            50 
      1   0.102386D+02 -0.555603D+01  0.128044D+02 -0.437218D+01 -0.136255D+02
      2  -0.579649D+01  0.130893D+02 -0.538390D+01  0.139625D+02  0.409544D+00
      3  -0.444211D+01 -0.753329D+01 -0.742050D+01 -0.959033D+01  0.132159D+02
      4  -0.250105D+01 -0.197213D+02 -0.651547D+01 -0.248576D+02  0.260084D+02
      5   0.102796D+02  0.976251D+00 -0.930699D+01 -0.704182D+00  0.199062D+02
      6  -0.785827D+01  0.443192D+01  0.108847D+01  0.979135D+01 -0.132282D+02
                51            52            53            54            55 
      1   0.390097D+01  0.951267D+01  0.491686D+01 -0.539662D+01 -0.391807D+02
      2  -0.111732D+02 -0.328013D+01 -0.104250D+02  0.220391D+01  0.242140D+02
      3   0.727227D+01 -0.623254D+01  0.550811D+01  0.319271D+01  0.149668D+02
      4   0.176218D+02 -0.486116D+01  0.135748D+02 -0.338324D+00  0.197415D+02
      5  -0.351447D+01 -0.782109D+01 -0.207570D+01 -0.293016D+01 -0.261353D+02
      6  -0.312715D+01  0.167195D+01 -0.401739D+01  0.340607D+01  0.878896D+01
                56            57            58            59            60 
      1   0.992624D+01 -0.230006D+02  0.500741D+01  0.170370D+02 -0.711793D+01
      2  -0.107245D+02  0.128117D+02 -0.773108D+01 -0.807201D+01  0.957204D+01
      3   0.798230D+00  0.101889D+02  0.272368D+01 -0.896498D+01 -0.245411D+01
      4   0.688598D+01  0.943119D+01  0.997354D+01 -0.769108D+01 -0.752490D+01
      5   0.291949D+01 -0.548822D+01 -0.281940D+01 -0.762980D+01  0.423599D+01
      6   0.541940D+01 -0.186939D+00  0.435361D+01  0.886155D+01 -0.956484D+01
                61            62            63            64            65 
      1  -0.189138D+02 -0.543259D+01 -0.273486D+00  0.103327D+02 -0.583247D+01
      2   0.108917D+02  0.787371D+01 -0.378773D+01 -0.967434D+01  0.543776D+01
      3   0.802215D+01 -0.244112D+01  0.406121D+01 -0.658319D+00  0.394717D+00
      4   0.563246D+01 -0.600356D+01  0.369262D+01 -0.182987D+02 -0.563614D+01
      5  -0.617915D+01  0.341502D+01  0.373167D+01  0.109000D+02 -0.483366D+01
      6  -0.161219D+00 -0.745865D+01 -0.487849D+00 -0.326367D+01 -0.440977D+01
                66            67            68            69            70 
      1   0.626125D+01 -0.100507D+02 -0.902206D+01 -0.347774D+01  0.366119D+01
      2  -0.628202D+01  0.732501D+01  0.193076D+01  0.145337D+01 -0.332965D+01
      3   0.207668D-01  0.272572D+01  0.709131D+01  0.202437D+01 -0.331545D+00
      4  -0.809747D+01  0.150276D+00 -0.350845D+01  0.661377D+01 -0.392859D+01
      5   0.801848D+01 -0.537692D+01  0.195228D+01 -0.132688D+01  0.505381D+01
      6  -0.140799D+01 -0.245390D+01 -0.174197D+01  0.376000D+01 -0.915818D+00
                71            72            73            74            75 
      1  -0.129313D+01  0.758104D+01  0.126014D+02  0.446509D+01  0.714041D+01
      2   0.265938D+01  0.689381D+01 -0.117773D+02 -0.437757D+01 -0.704652D+01
      3  -0.136625D+01 -0.144748D+02 -0.824137D+00 -0.875251D-01 -0.938894D-01
      4   0.246954D+01 -0.399315D+01  0.171225D+02 -0.662464D+01  0.781237D+01
      5  -0.156762D+01 -0.716934D+01  0.115196D+02  0.425154D+01  0.816315D+01
      6   0.394211D+01  0.732179D+00  0.251019D+01 -0.462502D+01  0.123919D+01
                76            77            78            79            80 
      1   0.908437D+01 -0.944194D+01  0.370646D+01  0.413592D+01  0.133187D+01
      2  -0.669584D+01  0.224524D+01 -0.166130D+01 -0.382340D+01 -0.267820D+01
      3  -0.238853D+01  0.719671D+01 -0.204516D+01 -0.312520D+00  0.134633D+01
      4  -0.124806D+01  0.422448D+01  0.603514D+01  0.373461D+01  0.216468D+01
      5   0.482844D+01  0.156010D+01  0.111005D+01  0.524903D+01  0.150172D+01
      6  -0.272485D+01  0.198769D+01  0.366642D+01  0.885018D+00  0.385399D+01
                81            82            83            84            85 
      1   0.796869D+01 -0.628509D+01 -0.296229D+01  0.970239D+01 -0.575747D+01
      2   0.653217D+01  0.920215D+01  0.315439D+01 -0.279245D+01  0.933505D+01
      3  -0.145009D+02 -0.291706D+01 -0.192099D+00 -0.690994D+01 -0.357758D+01
      4   0.395070D+01 -0.620791D+01  0.232634D+01  0.522619D+01  0.246672D+01
      5  -0.717825D+01  0.878112D+01 -0.140173D+01 -0.166695D+01 -0.136072D+01
      6  -0.422803D+00  0.524174D+01 -0.422248D+01  0.480573D+01 -0.326257D+01
                86            87            88            89            90 
      1  -0.165288D+02  0.850864D+01  0.652658D+01  0.458297D+01  0.283430D+01
      2   0.165583D+02 -0.161309D+02  0.209750D+00 -0.828230D+01  0.411955D+01
      3  -0.295174D-01  0.762230D+01 -0.673633D+01  0.369934D+01 -0.695385D+01
      4   0.452132D+01 -0.340714D+01  0.581713D+01 -0.288986D+01  0.281157D+01
      5  -0.716505D+01  0.164984D+01 -0.474194D+00  0.591321D+00 -0.211204D+01
      6  -0.122965D+02  0.520260D+01  0.376240D+01  0.247095D+01  0.598456D+01
                91            92            93            94            95 
      1  -0.215950D+01  0.264799D+01 -0.657510D+01  0.626209D+01  0.154434D+02
      2   0.185585D+00 -0.449259D+01  0.418769D+01 -0.116436D+02 -0.205635D+02
      3   0.197392D+01  0.184459D+01  0.238741D+01  0.538148D+01  0.512009D+01
      4  -0.632073D+01 -0.311065D+01 -0.123079D+02 -0.450261D+01 -0.107021D+02
      5  -0.569159D+01 -0.137248D+01 -0.334407D+01 -0.977238D+00  0.676600D+01
      6  -0.124272D+02  0.336438D+01 -0.853306D+01  0.396445D+01  0.285085D+02
                96            97            98            99           100 
      1  -0.151437D+02 -0.930157D+01 -0.198726D+02  0.280863D+01  0.686262D+02
      2   0.287116D+02  0.748793D+01  0.326193D+02 -0.662221D+01 -0.370478D+02
      3  -0.135680D+02  0.181365D+01 -0.127468D+02  0.381358D+01 -0.315784D+02
      4   0.541297D+01 -0.135360D+02  0.861847D+01 -0.112712D+02 -0.307831D+02
      5  -0.632430D+00 -0.487293D+01 -0.362805D+01 -0.745832D-01  0.311420D+02
      6  -0.959806D+01 -0.111814D+02 -0.128091D+02  0.193576D+01 -0.931078D+01
               101           102           103           104           105 
      1  -0.935837D+01  0.186228D+02  0.197960D+01  0.545759D+01  0.223164D+01
      2   0.246662D+01 -0.126012D+02 -0.453651D+01 -0.180675D+01 -0.338265D+01
      3   0.689175D+01 -0.602161D+01  0.255691D+01 -0.365084D+01  0.115101D+01
      4   0.132512D+02 -0.867678D+01  0.100280D+02 -0.502844D+01  0.407104D+01
      5  -0.485747D+01  0.181442D+02  0.764870D+00  0.515277D+01 -0.475482D+00
      6   0.327997D+01 -0.635529D+01  0.278115D+01 -0.297324D+01  0.356621D+01
               106           107           108           109           110 
      1   0.143879D+02 -0.710757D+00  0.109269D+02 -0.305836D+01 -0.908176D+01
      2  -0.116420D+02 -0.591311D+00 -0.890619D+01  0.289556D+01  0.849592D+01
      3  -0.274592D+01  0.130207D+01 -0.202075D+01  0.162803D+00  0.585847D+00
      4  -0.797619D+01  0.445543D+01 -0.692812D+01 -0.115071D+00 -0.100574D+01
      5   0.203851D+02 -0.404048D+01  0.130267D+02  0.296427D+01 -0.760775D+00
      6  -0.706036D+01  0.434499D+01 -0.459022D+01 -0.512710D+01 -0.559925D+01
               111           112           113           114           115 
      1   0.865137D+01 -0.542080D+01 -0.187294D+02  0.958236D+01  0.589254D+01
      2  -0.458326D+01  0.352227D+01  0.237441D+02 -0.875231D+01 -0.261124D+01
      3  -0.406811D+01  0.189853D+01 -0.501475D+01 -0.830049D+00 -0.328131D+01
      4  -0.211675D+01  0.458947D+01 -0.141897D+02  0.673113D+01 -0.463475D+01
      5  -0.855555D+00 -0.217477D+01  0.678993D+01 -0.859611D+01  0.309703D+01
      6   0.511931D+01 -0.504245D+00 -0.176852D+02  0.140255D+02  0.491500D+00
               116           117           118           119           120 
      1   0.762072D+01 -0.972016D+01  0.144083D+02 -0.933913D+01 -0.511846D+01
      2  -0.599045D+01  0.479285D+01 -0.316644D+00 -0.313821D+01  0.128904D+01
      3  -0.163027D+01  0.492731D+01 -0.140916D+02  0.124773D+02  0.382942D+01
      4   0.693838D+01 -0.523067D+01 -0.240832D+02  0.228778D+02  0.756706D+01
      5  -0.652214D+01  0.782515D+01 -0.107515D+02  0.710390D+01  0.866305D+01
      6   0.127917D+02 -0.130282D+02  0.714220D+01 -0.558725D+01 -0.458789D+01
               121           122           123           124           125 
      1  -0.873809D+01 -0.218110D+00 -0.156211D+01 -0.369866D+01 -0.164703D+01
      2  -0.834599D+01  0.237666D+02  0.644012D+01  0.116903D+01  0.364889D+01
      3   0.170841D+02 -0.235485D+02 -0.487801D+01  0.252963D+01 -0.200186D+01
      4   0.322289D+02 -0.443626D+02 -0.147957D+02  0.855627D+01 -0.115710D+02
      5   0.981867D+01 -0.148943D+02 -0.101194D+02  0.114030D+02 -0.106133D+02
      6  -0.999258D+01  0.175679D+02  0.113699D+02 -0.777925D+01  0.118568D+02
               126           127           128           129           130 
      1   0.898341D+00  0.219651D+02  0.751075D+01 -0.964160D+01  0.155337D+02
      2   0.153639D+01 -0.158067D+02 -0.680793D+01  0.818561D+01 -0.130775D+02
      3  -0.243473D+01 -0.615837D+01 -0.702816D+00  0.145599D+01 -0.245623D+01
      4  -0.114788D+02  0.193437D+01  0.659171D+01 -0.105215D+00  0.634377D+01
      5  -0.870529D+01 -0.148650D+02 -0.393963D+01  0.125290D+02 -0.882902D+01
      6   0.836699D+01  0.877179D+00 -0.180384D+01 -0.200643D+01 -0.263706D+01
               131           132           133           134           135 
      1   0.843179D+01 -0.505613D+01 -0.965054D+01 -0.152815D+01  0.649058D+01
      2  -0.792551D+01  0.836351D+01  0.912188D+01  0.488339D+01 -0.106136D+02
      3  -0.506286D+00 -0.330738D+01  0.528657D+00 -0.335524D+01  0.412300D+01
      4   0.884336D+01 -0.702211D+01  0.163598D+01 -0.604221D+01  0.269997D+01
      5  -0.975258D+01  0.114686D+02  0.131963D+02  0.560867D+01 -0.146497D+02
      6  -0.194251D+01  0.328154D+00 -0.147265D+01  0.234590D+01  0.119717D+01
               136           137           138           139           140 
      1   0.175174D+02  0.106998D+02 -0.574542D+01  0.109001D+02  0.271910D+01
      2  -0.210641D+01  0.211626D+01  0.170498D+01  0.651644D+01  0.195085D+02
      3  -0.154110D+02 -0.128160D+02  0.404044D+01 -0.174165D+02 -0.222276D+02
      4   0.257564D+02  0.233288D+02 -0.792075D+01  0.329217D+02  0.428082D+02
      5  -0.118453D+02 -0.751983D+01  0.931471D+01 -0.104138D+02 -0.148731D+02
      6  -0.732463D+01 -0.569096D+01  0.468738D+01 -0.998429D+01 -0.162478D+02
               141           142           143           144           145 
      1   0.506167D+00 -0.443207D+01  0.801811D+00  0.190013D+01  0.207642D+02
      2  -0.521529D+01  0.178806D+01 -0.271323D+01  0.531207D+00 -0.147481D+02
      3   0.470913D+01  0.264401D+01  0.191142D+01 -0.243134D+01 -0.601608D+01
      4  -0.147627D+02 -0.886267D+01 -0.114134D+02  0.114878D+02 -0.294682D+01
      5   0.102203D+02  0.122374D+02  0.106273D+02 -0.910984D+01 -0.143486D+02
      6   0.107289D+02  0.778672D+01  0.110691D+02 -0.801550D+01 -0.444563D+00
               146           147           148           149           150 
      1  -0.754187D+01 -0.942457D+01 -0.156028D+02  0.863858D+01  0.483876D+01
      2   0.658065D+01  0.780253D+01  0.128588D+02 -0.795533D+01 -0.805787D+01
      3   0.961218D+00  0.162204D+01  0.274400D+01 -0.683258D+00  0.321911D+01
      4   0.700061D+01  0.545549D+00  0.742870D+01 -0.975986D+01 -0.759451D+01
      5   0.407512D+01  0.120706D+02  0.893595D+01 -0.101782D+02 -0.119448D+02
      6  -0.188737D+01  0.147850D+01 -0.294381D+01  0.241971D+01  0.765837D+00
               151           152           153           154           155 
      1  -0.979770D+01  0.139849D+01  0.622208D+01  0.712965D+02  0.766848D+01
      2   0.907690D+01 -0.473409D+01 -0.103396D+02 -0.393892D+02 -0.199228D+01
      3   0.720804D+00  0.333560D+01  0.411750D+01 -0.319073D+02 -0.567619D+01
      4  -0.111382D+01 -0.625093D+01 -0.344470D+01  0.270740D+02  0.117303D+02
      5   0.130092D+02 -0.606831D+01 -0.147029D+02  0.316539D+02  0.387443D+01
      6   0.998579D+00  0.254174D+01 -0.571903D+00  0.821373D+01  0.283811D+01
               156           157           158           159           160 
      1   0.192123D+02 -0.402298D+01  0.557599D+01 -0.272239D+01  0.151092D+02
      2  -0.131432D+02  0.530898D+01 -0.231035D+01  0.361034D+01 -0.122808D+02
      3  -0.606901D+01 -0.128600D+01 -0.326564D+01 -0.887945D+00 -0.282839D+01
      4   0.749373D+01  0.923249D+01  0.367162D+01  0.397693D+01  0.706454D+01
      5   0.184182D+02 -0.181488D+01  0.514139D+01 -0.182280D+00  0.208645D+02
      6   0.572372D+01  0.256164D+01  0.248888D+01  0.329323D+01  0.636768D+01
               161           162           163           164           165 
      1   0.472365D+00  0.115034D+02 -0.243185D+01  0.831191D+01  0.840824D+01
      2   0.730606D+00 -0.948505D+01  0.239173D+01 -0.750886D+01 -0.438205D+01
      3  -0.120297D+01 -0.201831D+01  0.401240D-01 -0.803043D+00 -0.402619D+01
      4   0.416508D+01  0.605568D+01  0.496202D+00 -0.108947D+01  0.186969D+01
      5   0.333672D+01  0.132488D+02  0.330449D+01  0.711187D+00 -0.659839D+00
      6   0.390166D+01  0.404010D+01  0.475213D+01 -0.506634D+01 -0.446153D+01
               166           167           168           169           170 
      1   0.519582D+01 -0.180605D+02 -0.933998D+01  0.598784D+01 -0.726819D+01
      2  -0.306951D+01  0.229718D+02  0.834557D+01 -0.277728D+01  0.550188D+01
      3  -0.212631D+01 -0.491123D+01  0.994415D+00 -0.321057D+01  0.176630D+01
      4   0.486370D+01  0.158338D+02  0.741500D+01  0.457216D+01  0.730824D+01
      5   0.233629D+01  0.741267D+01  0.921578D+01  0.337595D+01  0.692018D+01
      6  -0.677877D-01  0.176251D+02  0.138367D+02 -0.960968D-01  0.125084D+02
               171           172           173           174           175 
      1  -0.923896D+01  0.121917D+02 -0.591751D+01  0.264954D+00 -0.111438D+02
      2   0.432220D+01 -0.438973D+01  0.209358D+01 -0.672165D+00  0.599741D+01
      3   0.491676D+01 -0.780201D+01  0.382393D+01  0.407210D+00  0.514634D+01
      4   0.583079D+01 -0.107718D+02  0.110942D+02 -0.233837D+01  0.899842D+01
      5   0.837942D+01  0.318488D+01 -0.288709D+01  0.293140D+01 -0.816747D+01
      6   0.126713D+02 -0.296726D+01  0.357502D+01 -0.143350D+01  0.413808D+01
               176           177           178           179           180 
      1   0.486199D+01 -0.222964D+01 -0.594602D+01  0.116337D+01 -0.923212D+00
      2   0.519161D-01  0.349611D+01  0.297515D+01  0.622755D+00 -0.729672D+00
      3  -0.491390D+01 -0.126646D+01  0.297087D+01 -0.178613D+01  0.165288D+01
      4  -0.170688D+02  0.181885D+01 -0.205656D+01 -0.198884D+01 -0.376449D+01
      5   0.322148D+01 -0.553061D+01  0.730092D-01 -0.298224D+01  0.587971D+00
      6  -0.669113D+01  0.185833D+01 -0.122654D+01  0.762136D+00 -0.171779D+01
               181           182           183           184           185 
      1  -0.379498D+01 -0.217073D+00  0.305798D+01  0.187139D+00 -0.112165D+01
      2   0.114468D+01 -0.425858D+00  0.156405D+01 -0.103110D+00 -0.200073D+01
      3   0.265030D+01  0.642931D+00 -0.462203D+01 -0.840293D-01  0.312238D+01
      4  -0.284031D+01  0.470672D+00 -0.550604D+00  0.303437D+01 -0.228369D+00
      5  -0.124415D+01 -0.451705D+00  0.878631D+00 -0.426520D+00  0.296177D+01
      6   0.189288D+00  0.737024D+00 -0.931218D-01  0.163815D+01 -0.291011D+00
               186           187           188           189           190 
      1  -0.146362D-01  0.260054D+01  0.184341D+01 -0.165867D+02 -0.403706D+01
      2   0.698168D+00 -0.600456D+01  0.163423D+01 -0.185222D+02  0.570529D+01
      3  -0.683532D+00  0.340402D+01 -0.347765D+01  0.351089D+02 -0.166824D+01
      4   0.328658D+01  0.121241D+01  0.418410D+01 -0.332968D+01 -0.462048D+01
      5  -0.649139D+00  0.826353D+01 -0.218021D+01  0.224599D+02  0.302122D+01
      6   0.522977D+01  0.291498D+00  0.347530D+01  0.744168D+00  0.347235D+00
               191           192           193           194           195 
      1   0.643743D+01 -0.168939D+01  0.660787D+01 -0.196811D+02  0.434875D+01
      2  -0.810624D+01  0.106005D+01 -0.640990D+01  0.304484D+02 -0.353965D+01
      3   0.166881D+01  0.629335D+00 -0.197966D+00 -0.107673D+02 -0.809105D+00
      4   0.519402D+00  0.184987D+01  0.564761D+01  0.183348D+01 -0.478758D+00
      5  -0.362672D+00 -0.888982D+00 -0.272470D+01  0.184329D+01  0.942464D+00
      6   0.637656D+01 -0.305866D+01  0.152369D+01 -0.113961D+02  0.610312D+01
               196           197           198           199           200 
      1   0.151318D+01  0.859490D+00 -0.425897D+01 -0.614523D+00  0.132540D+01
      2  -0.127329D+01  0.264988D+01  0.246776D+01 -0.244246D+01 -0.103099D+01
      3  -0.239896D+00 -0.350937D+01  0.179121D+01  0.305698D+01 -0.294410D+00
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      6   0.175698D+01  0.744338D+01  0.199036D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 19:56:48 2021, MaxMem= 10737418240 cpu:           74010.1 elap:            4630.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.92642 -14.92641 -14.92614 -14.92611 -14.92609
 Alpha  occ. eigenvalues --  -14.92604 -10.74431 -10.74410 -10.74359 -10.74354
 Alpha  occ. eigenvalues --  -10.74320 -10.74315  -3.83000  -2.57238  -2.57237
 Alpha  occ. eigenvalues --   -2.56820  -1.46296  -1.45130  -1.45092  -1.42491
 Alpha  occ. eigenvalues --   -1.42464  -1.42426  -1.24571  -1.24359  -1.24353
 Alpha  occ. eigenvalues --   -1.12752  -1.12554  -1.11876  -1.05520  -1.05254
 Alpha  occ. eigenvalues --   -1.05088  -1.03970  -1.03317  -1.02846  -1.02435
 Alpha  occ. eigenvalues --   -1.02312  -1.01846  -0.95955  -0.95879  -0.95229
 Alpha  occ. eigenvalues --   -0.94587  -0.94325  -0.94254  -0.92040  -0.91169
 Alpha  occ. eigenvalues --   -0.91159  -0.87370  -0.87336  -0.86397  -0.85811
 Alpha  occ. eigenvalues --   -0.85284  -0.84783  -0.82822  -0.82067  -0.82031
 Alpha  occ. eigenvalues --   -0.79895  -0.79874  -0.79752
 Alpha virt. eigenvalues --   -0.40710  -0.40702  -0.32942  -0.31002  -0.30139
 Alpha virt. eigenvalues --   -0.29940  -0.26304  -0.26269  -0.25873  -0.24520
 Alpha virt. eigenvalues --   -0.24099  -0.23690  -0.22939  -0.22015  -0.20999
 Alpha virt. eigenvalues --   -0.20387  -0.20106  -0.19986  -0.19115  -0.19083
 Alpha virt. eigenvalues --   -0.18631  -0.17577  -0.17220  -0.16970  -0.16274
 Alpha virt. eigenvalues --   -0.16258  -0.15744  -0.15237  -0.14819  -0.14333
 Alpha virt. eigenvalues --   -0.13858  -0.13783  -0.12789  -0.12716  -0.12697
 Alpha virt. eigenvalues --   -0.11972  -0.11837  -0.11724  -0.10910  -0.10372
 Alpha virt. eigenvalues --   -0.10273  -0.09906  -0.09632  -0.09514  -0.08161
 Alpha virt. eigenvalues --   -0.07617  -0.07601  -0.07166  -0.06907  -0.05922
 Alpha virt. eigenvalues --   -0.05597  -0.04836  -0.04105  -0.03785  -0.03365
 Alpha virt. eigenvalues --   -0.03007  -0.02195  -0.01923  -0.01350  -0.00767
 Alpha virt. eigenvalues --   -0.00335   0.00129   0.00409   0.00809   0.01512
 Alpha virt. eigenvalues --    0.01713   0.02863   0.03230   0.03899   0.04573
 Alpha virt. eigenvalues --    0.04946   0.05177   0.05473   0.05683   0.05844
 Alpha virt. eigenvalues --    0.06054   0.06305   0.06476   0.07082   0.07581
 Alpha virt. eigenvalues --    0.07938   0.08587   0.08835   0.09149   0.09620
 Alpha virt. eigenvalues --    0.10047   0.10286   0.10642   0.10745   0.11393
 Alpha virt. eigenvalues --    0.11533   0.11831   0.12286   0.12479   0.12848
 Alpha virt. eigenvalues --    0.13823   0.14074   0.14566   0.15161   0.15289
 Alpha virt. eigenvalues --    0.15411   0.15798   0.16405   0.17487   0.17529
 Alpha virt. eigenvalues --    0.17645   0.17704   0.18888   0.18941   0.19547
 Alpha virt. eigenvalues --    0.19689   0.20091   0.20689   0.20943   0.21011
 Alpha virt. eigenvalues --    0.21628   0.21708   0.22022   0.22353   0.22979
 Alpha virt. eigenvalues --    0.23361   0.23437   0.23767   0.24308   0.24862
 Alpha virt. eigenvalues --    0.24914   0.25344   0.25536   0.25922   0.25925
 Alpha virt. eigenvalues --    0.27264   0.27317   0.27451   0.28085   0.29145
 Alpha virt. eigenvalues --    0.29390   0.29597   0.30106   0.30611   0.31160
 Alpha virt. eigenvalues --    0.31238   0.32066   0.32410   0.32619   0.33214
 Alpha virt. eigenvalues --    0.33856   0.34140   0.34286   0.35216   0.35289
 Alpha virt. eigenvalues --    0.36328   0.36369   0.36766   0.37267   0.38441
 Alpha virt. eigenvalues --    0.38652   0.39719   0.40644   0.41540   0.41811
 Alpha virt. eigenvalues --    0.41971   0.42312   0.42493   0.44791   0.45146
 Alpha virt. eigenvalues --    0.45352   0.45928   0.47034   0.47967   0.48498
 Alpha virt. eigenvalues --    0.48882   0.49294   0.49328   0.49881   0.50453
 Alpha virt. eigenvalues --    0.51805   0.51950   0.53355   0.54356   0.54367
 Alpha virt. eigenvalues --    0.56516   0.57008   0.57287   0.59051   0.59246
 Alpha virt. eigenvalues --    0.60221   0.61937   0.62204   0.63786   0.64352
 Alpha virt. eigenvalues --    0.64840   0.65217   0.65346   0.68382   0.69084
 Alpha virt. eigenvalues --    0.69860   0.70197   0.71065   0.71326   0.71866
 Alpha virt. eigenvalues --    0.72545   0.72560   0.73126   0.73137   0.74805
 Alpha virt. eigenvalues --    0.75078   0.75812   0.76008   0.76434   0.76523
 Alpha virt. eigenvalues --    0.77970   0.78701   0.78852   0.80689   0.81527
 Alpha virt. eigenvalues --    0.82891   0.84954   0.85522   0.86211   0.86893
 Alpha virt. eigenvalues --    0.87416   0.87933   0.89429   0.90107   0.91201
 Alpha virt. eigenvalues --    0.92681   0.94206   0.95013   0.97193   0.97612
 Alpha virt. eigenvalues --    0.99938   1.00663   1.02153   1.03793   1.05912
 Alpha virt. eigenvalues --    1.08078   1.11437   1.11522   1.12849   1.12993
 Alpha virt. eigenvalues --    1.13773   1.15259   1.15697   1.20800   1.21986
 Alpha virt. eigenvalues --    1.22658   1.26333   1.26388   1.27894   1.27970
 Alpha virt. eigenvalues --    1.28683   1.28797   1.31460   1.31597   1.34111
 Alpha virt. eigenvalues --    1.34775   1.35715   1.36151   1.37192   1.41693
 Alpha virt. eigenvalues --    1.41703   1.42011   1.42369   1.43592   1.44679
 Alpha virt. eigenvalues --    1.45442   1.45728   1.47055   1.50201   1.50595
 Alpha virt. eigenvalues --    1.50726   1.51922   1.53025   1.53420   1.54255
 Alpha virt. eigenvalues --    1.54635   1.55512   1.57295   1.59197   1.59835
 Alpha virt. eigenvalues --    1.60581   1.61387   1.62132   1.62543   1.64418
 Alpha virt. eigenvalues --    1.64526   1.65665   1.66321   1.66634   1.66763
 Alpha virt. eigenvalues --    1.68251   1.68777   1.69234   1.71176   1.71862
 Alpha virt. eigenvalues --    1.73151   1.74982   1.76014   1.76028   1.76263
 Alpha virt. eigenvalues --    1.76916   1.77551   1.78473   1.79129   1.79320
 Alpha virt. eigenvalues --    1.81350   1.82044   1.83810   1.84108   1.84669
 Alpha virt. eigenvalues --    1.85469   1.85574   1.85898   1.87194   1.87206
 Alpha virt. eigenvalues --    1.88311   1.89136   1.90217   1.90959   1.92295
 Alpha virt. eigenvalues --    1.93193   1.93939   1.94980   1.95061   1.97137
 Alpha virt. eigenvalues --    1.97334   1.98699   1.98790   2.00677   2.01667
 Alpha virt. eigenvalues --    2.04994   2.05000   2.05988   2.06659   2.06865
 Alpha virt. eigenvalues --    2.08391   2.10849   2.11370   2.13193   2.13633
 Alpha virt. eigenvalues --    2.14514   2.16693   2.16739   2.18393   2.18509
 Alpha virt. eigenvalues --    2.21567   2.21643   2.22176   2.23348   2.24068
 Alpha virt. eigenvalues --    2.24382   2.24794   2.24902   2.25430   2.26919
 Alpha virt. eigenvalues --    2.30741   2.30966   2.32597   2.33989   2.34335
 Alpha virt. eigenvalues --    2.35923   2.39124   2.41234   2.42054   2.45917
 Alpha virt. eigenvalues --    2.47086   2.48174   2.48840   2.49617   2.50560
 Alpha virt. eigenvalues --    2.50799   2.52010   2.52556   2.53885   2.55519
 Alpha virt. eigenvalues --    2.56756   2.57898   2.58999   2.59483   2.63388
 Alpha virt. eigenvalues --    2.67601   2.68090   2.69107   2.72725   2.73222
 Alpha virt. eigenvalues --    2.78404   2.78443   2.79533   2.86828   2.88365
 Alpha virt. eigenvalues --    2.88878   2.88969   2.89441   2.90005   3.02925
 Alpha virt. eigenvalues --    3.06291   3.07285   3.08180   3.09079   3.10873
 Alpha virt. eigenvalues --    3.11564   3.30639   3.30668   3.30772   3.31938
 Alpha virt. eigenvalues --    3.34540   3.35473  49.33588
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.574378   0.164480   0.163376   0.070683   0.024419   0.001556
     2  C    0.164480   4.590557  -0.590810   0.102921   0.001964  -0.000705
     3  N    0.163376  -0.590810  12.558853  -1.524254   0.124069   0.002022
     4  Rh   0.070683   0.102921  -1.524254  19.824873  -1.526309   0.102683
     5  N    0.024419   0.001964   0.124069  -1.526309  12.565316  -0.591571
     6  C    0.001556  -0.000705   0.002022   0.102683  -0.591571   4.591240
     7  C   -0.001407   0.001557   0.024247   0.071555   0.163200   0.164358
     8  N   -0.009662   0.003640  -0.167500  -1.512911  -0.036807   0.111329
     9  N   -0.513350   0.110638  -0.036584  -1.510425  -0.167238   0.003576
    10  N   -0.004479  -0.004877  -0.073566  -1.343532  -0.201822   0.040592
    11  C   -0.001056   0.000238  -0.001019   0.057801  -0.005227  -0.001734
    12  H    0.000080  -0.000033   0.004157   0.036451   0.032855  -0.017041
    13  H   -0.000304   0.000917  -0.037649   0.095593  -0.077802   0.011246
    14  H   -0.000182  -0.000049   0.005446   0.024162  -0.151726   0.404245
    15  H    0.000394  -0.000144   0.001385   0.106313  -0.215915   0.269268
    16  H    0.004561   0.403884  -0.151699   0.024115   0.005500  -0.000049
    17  H    0.010978   0.269769  -0.215429   0.105945   0.001349  -0.000143
    18  H    0.431152  -0.017030   0.032747   0.036514   0.004149  -0.000032
    19  H    0.258369   0.011390  -0.077768   0.095591  -0.037658   0.000913
    20  H    0.075048  -0.029844  -0.006170   0.161589   0.015322  -0.000251
    21  H    0.155746  -0.018663   0.027974   0.247735  -0.007623   0.000811
    22  H   -0.049056   0.117499  -0.586298   0.190218  -0.026048  -0.003567
    23  H   -0.022255   0.152206  -0.815468   0.260602  -0.012469  -0.004129
    24  H    0.007870  -0.003588  -0.025627   0.189769  -0.586652   0.117483
    25  H   -0.001947  -0.004134  -0.012480   0.261116  -0.817425   0.152301
    26  H   -0.000022  -0.000252   0.015227   0.161368  -0.006108  -0.029887
    27  H    0.000462   0.000798  -0.007488   0.248269   0.027929  -0.018822
    28  C    0.000052  -0.001720  -0.005239   0.058421  -0.000989   0.000241
    29  N    0.001182   0.040529  -0.201646  -1.344131  -0.073754  -0.004879
    30  H   -0.000133   0.000002   0.000955   0.231499   0.020695   0.000826
    31  H    0.001372   0.000219   0.001134   0.171539  -0.006159  -0.002915
    32  H    0.000200   0.000030   0.001540   0.077489   0.002635  -0.000094
    33  H   -0.000119   0.000015   0.000471   0.034083   0.000655  -0.000426
    34  H   -0.000275  -0.000425   0.000642   0.033742   0.000471   0.000015
    35  H    0.002750  -0.000094   0.002654   0.077700   0.001536   0.000031
    36  H   -0.002182   0.000825   0.020523   0.231182   0.000959  -0.000001
    37  H   -0.002449  -0.002896  -0.006146   0.172233   0.001148   0.000220
               7          8          9         10         11         12
     1  C   -0.001407  -0.009662  -0.513350  -0.004479  -0.001056   0.000080
     2  C    0.001557   0.003640   0.110638  -0.004877   0.000238  -0.000033
     3  N    0.024247  -0.167500  -0.036584  -0.073566  -0.001019   0.004157
     4  Rh   0.071555  -1.512911  -1.510425  -1.343532   0.057801   0.036451
     5  N    0.163200  -0.036807  -0.167238  -0.201822  -0.005227   0.032855
     6  C    0.164358   0.111329   0.003576   0.040592  -0.001734  -0.017041
     7  C    4.574651  -0.515718  -0.009628   0.001278   0.000052   0.431104
     8  N   -0.515718  12.012627  -0.074182   0.170722   0.006309  -0.181598
     9  N   -0.009628  -0.074182  12.005414  -0.040584   0.008609   0.000578
    10  N    0.001278   0.170722  -0.040584  11.267872  -0.387704   0.002260
    11  C    0.000052   0.006309   0.008609  -0.387704   4.580949  -0.000322
    12  H    0.431104  -0.181598   0.000578   0.002260  -0.000322   1.012846
    13  H    0.258422  -0.186853   0.000371  -0.001744   0.000445  -0.195274
    14  H    0.004259   0.035680   0.000861   0.003434   0.000007  -0.013150
    15  H    0.011156  -0.084132   0.002884  -0.040159   0.002101  -0.035752
    16  H   -0.000179   0.000859   0.035439   0.000427  -0.000031   0.000004
    17  H    0.000392   0.002877  -0.083617   0.000360   0.000379  -0.000009
    18  H    0.000079   0.000578  -0.181383   0.000500  -0.000063  -0.000002
    19  H   -0.000301   0.000366  -0.186872   0.002718  -0.000001   0.000013
    20  H   -0.000020  -0.002254  -0.410521  -0.028623  -0.001725   0.000008
    21  H    0.000456   0.001069  -0.747023  -0.011180  -0.003874  -0.000012
    22  H    0.007833   0.008705  -0.001388  -0.002166  -0.000192  -0.002449
    23  H   -0.001901   0.021301   0.006258   0.002861  -0.000080  -0.000342
    24  H   -0.048992  -0.001418   0.008482   0.014190   0.000019   0.000103
    25  H   -0.022233   0.006342   0.021465  -0.001716   0.001933  -0.004539
    26  H    0.075307  -0.410594  -0.002265  -0.023414   0.008866  -0.023771
    27  H    0.156360  -0.748410   0.001079  -0.013262  -0.001735   0.069490
    28  C   -0.001055   0.008612   0.006306   0.102737   0.169470  -0.000063
    29  N   -0.004545  -0.039665   0.170528   0.036788   0.103083   0.000496
    30  H   -0.002197  -0.080863   0.011811  -0.622363   0.107329   0.000457
    31  H   -0.002460  -0.021053  -0.027930  -0.266974   0.071729  -0.000034
    32  H    0.002765  -0.034248  -0.005169  -0.164616   0.264502  -0.000052
    33  H   -0.000277  -0.002381   0.009761  -0.145289   0.407616  -0.000007
    34  H   -0.000118   0.009800  -0.002404   0.021172   0.008785  -0.000007
    35  H    0.000200  -0.005217  -0.034018  -0.047737  -0.003169   0.000006
    36  H   -0.000126   0.011735  -0.080765   0.010372  -0.012361  -0.000021
    37  H    0.001395  -0.028333  -0.020947  -0.005241  -0.027025  -0.000268
              13         14         15         16         17         18
     1  C   -0.000304  -0.000182   0.000394   0.004561   0.010978   0.431152
     2  C    0.000917  -0.000049  -0.000144   0.403884   0.269769  -0.017030
     3  N   -0.037649   0.005446   0.001385  -0.151699  -0.215429   0.032747
     4  Rh   0.095593   0.024162   0.106313   0.024115   0.105945   0.036514
     5  N   -0.077802  -0.151726  -0.215915   0.005500   0.001349   0.004149
     6  C    0.011246   0.404245   0.269268  -0.000049  -0.000143  -0.000032
     7  C    0.258422   0.004259   0.011156  -0.000179   0.000392   0.000079
     8  N   -0.186853   0.035680  -0.084132   0.000859   0.002877   0.000578
     9  N    0.000371   0.000861   0.002884   0.035439  -0.083617  -0.181383
    10  N   -0.001744   0.003434  -0.040159   0.000427   0.000360   0.000500
    11  C    0.000445   0.000007   0.002101  -0.000031   0.000379  -0.000063
    12  H   -0.195274  -0.013150  -0.035752   0.000004  -0.000009  -0.000002
    13  H    1.020994  -0.036066   0.049597  -0.000035   0.000276   0.000013
    14  H   -0.036066   1.006850  -0.194986  -0.000031  -0.000007   0.000004
    15  H    0.049597  -0.194986   1.005676  -0.000007  -0.000005  -0.000009
    16  H   -0.000035  -0.000031  -0.000007   1.006338  -0.194416  -0.013232
    17  H    0.000276  -0.000007  -0.000005  -0.194416   1.004046  -0.035655
    18  H    0.000013   0.000004  -0.000009  -0.013232  -0.035655   1.012784
    19  H    0.000339  -0.000036   0.000277  -0.035888   0.049461  -0.195234
    20  H   -0.000079  -0.000010  -0.000122   0.001719   0.012537  -0.023662
    21  H   -0.000004  -0.000139   0.000242  -0.006884   0.000241   0.069359
    22  H    0.017745  -0.000467   0.000028  -0.023816   0.051424   0.000118
    23  H    0.005081  -0.000443  -0.000198   0.067129   0.001449  -0.004534
    24  H    0.009709  -0.023742   0.051532  -0.000476   0.000031  -0.002450
    25  H   -0.001802   0.067129   0.001557  -0.000448  -0.000197  -0.000341
    26  H    0.054311   0.001684   0.012629  -0.000009  -0.000121   0.000008
    27  H    0.006522  -0.006897   0.000287  -0.000138   0.000243  -0.000012
    28  C   -0.000001  -0.000032   0.000380   0.000007   0.002093  -0.000321
    29  N    0.002704   0.000431   0.000362   0.003391  -0.039995   0.002255
    30  H    0.000722  -0.002610   0.023427   0.000001  -0.000024  -0.000021
    31  H    0.000016  -0.000118   0.005875  -0.000032   0.000012  -0.000267
    32  H    0.000270   0.000000   0.000875  -0.000003   0.000030   0.000006
    33  H    0.000012  -0.000005   0.000385  -0.000000  -0.000026  -0.000007
    34  H   -0.000011  -0.000000  -0.000026  -0.000005   0.000384  -0.000007
    35  H    0.000002  -0.000003   0.000030   0.000000   0.000866  -0.000052
    36  H   -0.000217   0.000000  -0.000024  -0.002589   0.023306   0.000450
    37  H    0.000552  -0.000032   0.000013  -0.000117   0.005858  -0.000034
              19         20         21         22         23         24
     1  C    0.258369   0.075048   0.155746  -0.049056  -0.022255   0.007870
     2  C    0.011390  -0.029844  -0.018663   0.117499   0.152206  -0.003588
     3  N   -0.077768  -0.006170   0.027974  -0.586298  -0.815468  -0.025627
     4  Rh   0.095591   0.161589   0.247735   0.190218   0.260602   0.189769
     5  N   -0.037658   0.015322  -0.007623  -0.026048  -0.012469  -0.586652
     6  C    0.000913  -0.000251   0.000811  -0.003567  -0.004129   0.117483
     7  C   -0.000301  -0.000020   0.000456   0.007833  -0.001901  -0.048992
     8  N    0.000366  -0.002254   0.001069   0.008705   0.021301  -0.001418
     9  N   -0.186872  -0.410521  -0.747023  -0.001388   0.006258   0.008482
    10  N    0.002718  -0.028623  -0.011180  -0.002166   0.002861   0.014190
    11  C   -0.000001  -0.001725  -0.003874  -0.000192  -0.000080   0.000019
    12  H    0.000013   0.000008  -0.000012  -0.002449  -0.000342   0.000103
    13  H    0.000339  -0.000079  -0.000004   0.017745   0.005081   0.009709
    14  H   -0.000036  -0.000010  -0.000139  -0.000467  -0.000443  -0.023742
    15  H    0.000277  -0.000122   0.000242   0.000028  -0.000198   0.051532
    16  H   -0.035888   0.001719  -0.006884  -0.023816   0.067129  -0.000476
    17  H    0.049461   0.012537   0.000241   0.051424   0.001449   0.000031
    18  H   -0.195234  -0.023662   0.069359   0.000118  -0.004534  -0.002450
    19  H    1.021107   0.054242   0.006615   0.009666  -0.001791   0.017777
    20  H    0.054242   0.657210   0.015560  -0.001810   0.000813   0.000172
    21  H    0.006615   0.015560   0.846572  -0.001598  -0.002355   0.004960
    22  H    0.009666  -0.001810  -0.001598   0.707451   0.043252   0.022207
    23  H   -0.001791   0.000813  -0.002355   0.043252   0.816566   0.002690
    24  H    0.017777   0.000172   0.004960   0.022207   0.002690   0.707649
    25  H    0.005069  -0.003169   0.008454   0.002719   0.000403   0.043302
    26  H   -0.000079   0.000279   0.000078   0.000177  -0.003139  -0.001801
    27  H   -0.000004   0.000077  -0.000032   0.004926   0.008475  -0.001584
    28  C    0.000443   0.008805  -0.001720   0.000021   0.001940  -0.000194
    29  N   -0.001743  -0.023545  -0.013184   0.014218  -0.001819  -0.002176
    30  H   -0.000219   0.001857  -0.002200   0.000267  -0.000197  -0.000455
    31  H    0.000547   0.012754   0.010774  -0.000052  -0.000232  -0.000740
    32  H    0.000002   0.000882   0.000758  -0.000075  -0.000172  -0.000100
    33  H   -0.000011  -0.000750  -0.001163   0.000009  -0.000030   0.000023
    34  H    0.000012  -0.002978   0.000146   0.000023   0.000054   0.000009
    35  H    0.000268   0.023039   0.005124  -0.000100   0.000082  -0.000075
    36  H    0.000720   0.028620   0.005741  -0.000458   0.012435   0.000267
    37  H    0.000016   0.003242   0.000632  -0.000737   0.006533  -0.000053
              25         26         27         28         29         30
     1  C   -0.001947  -0.000022   0.000462   0.000052   0.001182  -0.000133
     2  C   -0.004134  -0.000252   0.000798  -0.001720   0.040529   0.000002
     3  N   -0.012480   0.015227  -0.007488  -0.005239  -0.201646   0.000955
     4  Rh   0.261116   0.161368   0.248269   0.058421  -1.344131   0.231499
     5  N   -0.817425  -0.006108   0.027929  -0.000989  -0.073754   0.020695
     6  C    0.152301  -0.029887  -0.018822   0.000241  -0.004879   0.000826
     7  C   -0.022233   0.075307   0.156360  -0.001055  -0.004545  -0.002197
     8  N    0.006342  -0.410594  -0.748410   0.008612  -0.039665  -0.080863
     9  N    0.021465  -0.002265   0.001079   0.006306   0.170528   0.011811
    10  N   -0.001716  -0.023414  -0.013262   0.102737   0.036788  -0.622363
    11  C    0.001933   0.008866  -0.001735   0.169470   0.103083   0.107329
    12  H   -0.004539  -0.023771   0.069490  -0.000063   0.000496   0.000457
    13  H   -0.001802   0.054311   0.006522  -0.000001   0.002704   0.000722
    14  H    0.067129   0.001684  -0.006897  -0.000032   0.000431  -0.002610
    15  H    0.001557   0.012629   0.000287   0.000380   0.000362   0.023427
    16  H   -0.000448  -0.000009  -0.000138   0.000007   0.003391   0.000001
    17  H   -0.000197  -0.000121   0.000243   0.002093  -0.039995  -0.000024
    18  H   -0.000341   0.000008  -0.000012  -0.000321   0.002255  -0.000021
    19  H    0.005069  -0.000079  -0.000004   0.000443  -0.001743  -0.000219
    20  H   -0.003169   0.000279   0.000077   0.008805  -0.023545   0.001857
    21  H    0.008454   0.000078  -0.000032  -0.001720  -0.013184  -0.002200
    22  H    0.002719   0.000177   0.004926   0.000021   0.014218   0.000267
    23  H    0.000403  -0.003139   0.008475   0.001940  -0.001819  -0.000197
    24  H    0.043302  -0.001801  -0.001584  -0.000194  -0.002176  -0.000455
    25  H    0.817601   0.000789  -0.002354  -0.000084   0.002892   0.012379
    26  H    0.000789   0.657155   0.015697  -0.001718  -0.028817   0.028644
    27  H   -0.002354   0.015697   0.846551  -0.003860  -0.011691   0.005747
    28  C   -0.000084  -0.001718  -0.003860   4.580830  -0.388001  -0.012366
    29  N    0.002892  -0.028817  -0.011691  -0.388001  11.268872   0.010283
    30  H    0.012379   0.028644   0.005747  -0.012366   0.010283   0.838889
    31  H    0.006528   0.003242   0.000640  -0.027029  -0.005048   0.005315
    32  H    0.000083   0.023228   0.005154  -0.003065  -0.047422   0.010150
    33  H    0.000053  -0.003006   0.000146   0.008647   0.020924   0.056340
    34  H   -0.000030  -0.000744  -0.001164   0.407267  -0.144243  -0.005338
    35  H   -0.000172   0.000884   0.000764   0.264889  -0.165062  -0.002401
    36  H   -0.000199   0.001871  -0.002153   0.107140  -0.621367  -0.002749
    37  H   -0.000234   0.012824   0.010911   0.071882  -0.268436   0.000920
              31         32         33         34         35         36
     1  C    0.001372   0.000200  -0.000119  -0.000275   0.002750  -0.002182
     2  C    0.000219   0.000030   0.000015  -0.000425  -0.000094   0.000825
     3  N    0.001134   0.001540   0.000471   0.000642   0.002654   0.020523
     4  Rh   0.171539   0.077489   0.034083   0.033742   0.077700   0.231182
     5  N   -0.006159   0.002635   0.000655   0.000471   0.001536   0.000959
     6  C   -0.002915  -0.000094  -0.000426   0.000015   0.000031  -0.000001
     7  C   -0.002460   0.002765  -0.000277  -0.000118   0.000200  -0.000126
     8  N   -0.021053  -0.034248  -0.002381   0.009800  -0.005217   0.011735
     9  N   -0.027930  -0.005169   0.009761  -0.002404  -0.034018  -0.080765
    10  N   -0.266974  -0.164616  -0.145289   0.021172  -0.047737   0.010372
    11  C    0.071729   0.264502   0.407616   0.008785  -0.003169  -0.012361
    12  H   -0.000034  -0.000052  -0.000007  -0.000007   0.000006  -0.000021
    13  H    0.000016   0.000270   0.000012  -0.000011   0.000002  -0.000217
    14  H   -0.000118   0.000000  -0.000005  -0.000000  -0.000003   0.000000
    15  H    0.005875   0.000875   0.000385  -0.000026   0.000030  -0.000024
    16  H   -0.000032  -0.000003  -0.000000  -0.000005   0.000000  -0.002589
    17  H    0.000012   0.000030  -0.000026   0.000384   0.000866   0.023306
    18  H   -0.000267   0.000006  -0.000007  -0.000007  -0.000052   0.000450
    19  H    0.000547   0.000002  -0.000011   0.000012   0.000268   0.000720
    20  H    0.012754   0.000882  -0.000750  -0.002978   0.023039   0.028620
    21  H    0.010774   0.000758  -0.001163   0.000146   0.005124   0.005741
    22  H   -0.000052  -0.000075   0.000009   0.000023  -0.000100  -0.000458
    23  H   -0.000232  -0.000172  -0.000030   0.000054   0.000082   0.012435
    24  H   -0.000740  -0.000100   0.000023   0.000009  -0.000075   0.000267
    25  H    0.006528   0.000083   0.000053  -0.000030  -0.000172  -0.000199
    26  H    0.003242   0.023228  -0.003006  -0.000744   0.000884   0.001871
    27  H    0.000640   0.005154   0.000146  -0.001164   0.000764  -0.002153
    28  C   -0.027029  -0.003065   0.008647   0.407267   0.264889   0.107140
    29  N   -0.005048  -0.047422   0.020924  -0.144243  -0.165062  -0.621367
    30  H    0.005315   0.010150   0.056340  -0.005338  -0.002401  -0.002749
    31  H    0.593582   0.031950  -0.020511  -0.000303   0.005143   0.000897
    32  H    0.031950   0.983206  -0.197474  -0.053658   0.055781  -0.002431
    33  H   -0.020511  -0.197474   1.018601   0.006286  -0.053505  -0.005324
    34  H   -0.000303  -0.053658   0.006286   1.017824  -0.197447   0.056117
    35  H    0.005143   0.055781  -0.053505  -0.197447   0.983530   0.010286
    36  H    0.000897  -0.002431  -0.005324   0.056117   0.010286   0.838412
    37  H    0.000788   0.005163  -0.000262  -0.020631   0.032046   0.005538
              37
     1  C   -0.002449
     2  C   -0.002896
     3  N   -0.006146
     4  Rh   0.172233
     5  N    0.001148
     6  C    0.000220
     7  C    0.001395
     8  N   -0.028333
     9  N   -0.020947
    10  N   -0.005241
    11  C   -0.027025
    12  H   -0.000268
    13  H    0.000552
    14  H   -0.000032
    15  H    0.000013
    16  H   -0.000117
    17  H    0.005858
    18  H   -0.000034
    19  H    0.000016
    20  H    0.003242
    21  H    0.000632
    22  H   -0.000737
    23  H    0.006533
    24  H   -0.000053
    25  H   -0.000234
    26  H    0.012824
    27  H    0.010911
    28  C    0.071882
    29  N   -0.268436
    30  H    0.000920
    31  H    0.000788
    32  H    0.005163
    33  H   -0.000262
    34  H   -0.020631
    35  H    0.032046
    36  H    0.005538
    37  H    0.593738
 Mulliken charges:
               1
     1  C    0.659773
     2  C    0.701185
     3  N   -1.444584
     4  Rh   2.197807
     5  N   -1.444870
     6  C    0.701290
     7  C    0.660533
     8  N   -1.268752
     9  N   -1.267766
    10  N   -1.247234
    11  C    0.647096
    12  H   -0.116162
    13  H    0.001982
    14  H   -0.123460
    15  H    0.024803
    16  H   -0.123289
    17  H    0.025338
    18  H   -0.116371
    19  H    0.001684
    20  H    0.461758
    21  H    0.408608
    22  H    0.501771
    23  H    0.461421
    24  H    0.501878
    25  H    0.461391
    26  H    0.461478
    27  H    0.409074
    28  C    0.647274
    29  N   -1.247768
    30  H    0.365622
    31  H    0.457801
    32  H    0.041882
    33  H   -0.133455
    34  H   -0.132936
    35  H    0.041441
    36  H    0.365567
    37  H    0.458189
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.545087
     2  C    0.603234
     3  N   -0.481393
     4  Rh   2.197807
     5  N   -0.481601
     6  C    0.602633
     7  C    0.546353
     8  N   -0.398201
     9  N   -0.397400
    10  N   -0.423811
    11  C    0.555523
    28  C    0.555779
    29  N   -0.424011
 Electronic spatial extent (au):  <R**2>=           2776.8009
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0018    Y=              0.0349    Z=              0.0019  Tot=              0.0350
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.8665   YY=            -31.0737   ZZ=            -52.1881
   XY=              0.0118   XZ=              0.1061   YZ=             -0.0020
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.1762   YY=              6.9690   ZZ=            -14.1453
   XY=              0.0118   XZ=              0.1061   YZ=             -0.0020
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -2.4171  YYY=             36.9747  ZZZ=              0.0023  XYY=              2.3945
  XXY=            -36.2423  XXZ=             -0.0423  XZZ=             -0.0225  YZZ=             -0.3252
  YYZ=              0.0371  XYZ=             -0.7492
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -989.9201 YYYY=           -957.3747 ZZZZ=           -375.8346 XXXY=              0.3290
 XXXZ=             35.2639 YYYX=              0.0098 YYYZ=              2.4382 ZZZX=              4.6372
 ZZZY=             -0.1142 XXYY=           -321.9368 XXZZ=           -231.7528 YYZZ=           -233.9823
 XXYZ=             -2.4150 YYXZ=            -37.5378 ZZXY=             -0.0987
 N-N= 1.198169564059D+03 E-N=-3.900765265481D+03  KE= 6.040978520251D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 19:56:49 2021, MaxMem= 10737418240 cpu:               9.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.58655459D-04 1.43809002D-02 7.25989390D-04
 Polarizability= 1.49422457D+02-4.41604134D-03 1.48319784D+02
                -4.53560410D-02-4.68735167D-05 1.20631710D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0116    0.0112       -0.0016   -0.0011
 2     -0.0116   -0.0112        0.0016    0.0012       -0.5453   -0.5432
 3      0.0016    0.0011       14.5419   14.5339       -0.0014   -0.0012
 4     -0.0016   -0.0012       -0.0000    0.0000        0.0016    0.0011
 5    -13.9966  -13.9908       -0.0016   -0.0011        0.0109    0.0112
 6      0.0014    0.0012       -0.0109   -0.0112        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0336   -0.0336       -0.0034   -0.0034
 2     -0.0036   -0.0036       -0.0000    0.0000       -0.0034   -0.0034
 3     -0.0036   -0.0036       -0.0336   -0.0336       -0.0000    0.0000
 4     -0.0336   -0.0336        0.0036    0.0036       -1.6295   -1.6295
 5      0.0034    0.0034       43.6018   43.6018       -0.0036   -0.0036
 6    -41.9724  -41.9724       -0.0034   -0.0034        0.0336    0.0336
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1432    0.0000        0.1546   -0.0448       -0.0728    0.0045
 2      0.7263    0.0448       -0.0389   -0.0048        2.0126    2.1726
 3      0.0362   -0.0045      -58.2185  -58.1358       -0.0642    0.0048
 4     -0.1179    0.0048       -0.1394    0.0000        0.0751   -0.0045
 5     55.4405   55.9631       -0.0127    0.0045        0.0641   -0.0448
 6      0.0477   -0.0048        0.1234    0.0448       -0.0108    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0159    0.0000        3.8616    4.0147       -0.2669   -0.1573
 2     -4.3815   -4.0147        0.3296   -0.1378       -7.3789   -8.0847
 3     -0.2009    0.1573       -4.0489   -4.1287        0.3154    0.1378
 4      0.4795    0.1378        0.0895    0.0000       -0.4994    0.1573
 5     11.2003   12.2134       -0.0160   -0.1573        4.5569    4.0147
 6     -0.4692   -0.1378       -3.9120   -4.0147        0.6654    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      6.1381    6.4025       83.3519   83.6775       -0.1815   -0.3293
 2      6.4688    6.5541       89.3088   89.2395       -0.4959   -0.3293
 3      6.3831    6.5541       83.3241   83.6775       -0.4104   -0.3964
 4     -5.4801   -5.5620        0.0602   -0.1516        3.2951    3.2297
 5     -0.0091   -0.0671      -32.3383  -32.8202        0.8050    0.1516
 6     28.8934   29.5905        0.1550    0.0671        5.8272    5.5620
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.4836  -11.2898   -6.5340   -0.0004   -0.0003   -0.0002
 Low frequencies ---   84.2247   87.9363  101.8202
 Diagonal vibrational polarizability:
       14.0892078      12.8852557      13.4777204
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     84.1902                87.9342               101.7887
 Red. masses --      2.9562                 2.9808                 2.8609
 Frc consts  --      0.0123                 0.0136                 0.0175
 IR Inten    --      0.0095                 0.0097                 0.0472
 RamAct Fr= 1--      0.9873                 0.9494                 0.1784
  Dep-P Fr= 1--      0.7488                 0.7498                 0.7484
  Dep-U Fr= 1--      0.8563                 0.8570                 0.8561
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1409                 0.1356                 0.0255
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.4566                -0.2358                 0.0872
 Delta2 Fr= 1--     -0.0656                -0.0400                -0.0066
 Raman1 Fr= 1--       3.949                  3.798                  0.714
 ROA1   Fr= 1--     -45.932                -23.918                  8.161
 CID1   Fr= 1--     -11.631                 -6.298                 11.434
 Raman2 Fr= 1--       1.691                  1.627                  0.306
 ROA2   Fr= 1--     -10.434                 -5.339                  2.145
 CID2   Fr= 1--      -6.170                 -3.281                  7.022
 Raman3 Fr= 1--       3.382                  3.255                  0.611
 ROA3   Fr= 1--     -45.932                -23.918                  8.161
 CID3   Fr= 1--     -13.582                 -7.349                 13.357
 RC180  Fr= 1--       0.713                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04   0.01    -0.11   0.15   0.08     0.07   0.03  -0.09
     2   6    -0.08   0.09   0.01    -0.02   0.18   0.08    -0.03  -0.03  -0.09
     3   7    -0.08   0.00   0.01     0.01  -0.02  -0.05    -0.05   0.02   0.02
     4  45    -0.02  -0.04   0.01     0.03  -0.02  -0.01     0.01   0.00   0.06
     5   7     0.03  -0.02   0.04     0.07   0.01  -0.03    -0.06  -0.02   0.02
     6   6     0.07   0.19  -0.08     0.06  -0.02   0.03    -0.03   0.03  -0.09
     7   6     0.15   0.14  -0.08     0.00  -0.04   0.03     0.06  -0.04  -0.08
     8   7    -0.03   0.01   0.04     0.01  -0.03   0.02     0.03  -0.09   0.03
     9   7     0.01  -0.02  -0.03     0.03   0.03  -0.02     0.03   0.08   0.04
    10   7     0.04  -0.06   0.02     0.00   0.02   0.02     0.05  -0.04   0.02
    11   6     0.08  -0.07   0.03    -0.14   0.04  -0.02    -0.11   0.04  -0.12
    12   1     0.17   0.29  -0.14    -0.01  -0.07   0.08     0.08  -0.01  -0.14
    13   1     0.31   0.04  -0.09    -0.04  -0.04   0.00     0.12  -0.09  -0.10
    14   1     0.20   0.27  -0.14     0.05  -0.02   0.03    -0.01   0.06  -0.15
    15   1    -0.09   0.29  -0.10     0.09  -0.02   0.06    -0.10   0.07  -0.09
    16   1    -0.15   0.13   0.04    -0.13   0.25   0.14    -0.00  -0.07  -0.16
    17   1    -0.03   0.14  -0.01     0.13   0.26   0.11    -0.10  -0.08  -0.09
    18   1    -0.07   0.10   0.00    -0.13   0.28   0.15     0.08  -0.00  -0.15
    19   1    -0.13  -0.00   0.04    -0.27   0.07   0.08     0.14   0.08  -0.10
    20   1     0.05   0.02  -0.09     0.12   0.11  -0.11     0.00   0.05   0.12
    21   1     0.04  -0.08  -0.03     0.04  -0.09  -0.02     0.03   0.19   0.03
    22   1    -0.14  -0.02  -0.01    -0.10  -0.06  -0.17    -0.02   0.03   0.09
    23   1    -0.07  -0.01   0.01     0.13  -0.12  -0.03    -0.14   0.06   0.02
    24   1     0.15  -0.07   0.16     0.06   0.01  -0.08    -0.03  -0.02   0.09
    25   1    -0.08  -0.11   0.03     0.12   0.05  -0.02    -0.14  -0.05   0.02
    26   1    -0.12   0.11   0.15     0.02  -0.04   0.02     0.01  -0.06   0.11
    27   1    -0.06  -0.12   0.03    -0.01  -0.03   0.01     0.02  -0.19   0.03
    28   6     0.07  -0.01  -0.01    -0.15  -0.07  -0.03    -0.11  -0.03  -0.12
    29   7    -0.02  -0.01  -0.02    -0.03  -0.07  -0.00     0.05   0.04   0.02
    30   1     0.03  -0.10   0.01     0.03   0.09   0.09     0.09  -0.01   0.14
    31   1     0.04  -0.04   0.02     0.06  -0.03  -0.02     0.14  -0.15  -0.05
    32   1     0.07  -0.12   0.05    -0.15   0.14  -0.00    -0.11   0.21  -0.12
    33   1     0.14  -0.07   0.04    -0.21   0.03  -0.04    -0.20  -0.02  -0.22
    34   1     0.09  -0.01   0.00    -0.24  -0.06  -0.06    -0.19   0.03  -0.21
    35   1     0.09   0.04  -0.03    -0.15  -0.17  -0.04    -0.12  -0.20  -0.11
    36   1    -0.04   0.02  -0.08    -0.01  -0.13   0.04     0.09   0.01   0.15
    37   1    -0.06  -0.04   0.00     0.00  -0.01  -0.02     0.15   0.15  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    144.5414               145.1794               163.0770
 Red. masses --      2.9263                 2.9334                 2.6836
 Frc consts  --      0.0360                 0.0364                 0.0420
 IR Inten    --      0.7408                 0.5929                 0.1302
 RamAct Fr= 1--      0.3375                 0.2259                 1.5338
  Dep-P Fr= 1--      0.7460                 0.6949                 0.7224
  Dep-U Fr= 1--      0.8545                 0.8200                 0.8388
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0007
 Beta2  Fr= 1--      0.0481                 0.0309                 0.2144
 AlphaG Fr= 1--      0.0000                -0.0002                -0.0093
 Gamma2 Fr= 1--      1.1338                 0.9422                -2.0278
 Delta2 Fr= 1--      0.2616                 0.1939                -0.5341
 Raman1 Fr= 1--       1.350                  0.904                  6.135
 ROA1   Fr= 1--     117.214                 96.655               -211.762
 CID1   Fr= 1--      86.815                106.949                -34.517
 Raman2 Fr= 1--       0.577                  0.371                  2.573
 ROA2   Fr= 1--      25.118                 21.062                -44.394
 CID2   Fr= 1--      43.542                 56.840                -17.254
 Raman3 Fr= 1--       1.154                  0.741                  5.146
 ROA3   Fr= 1--     117.214                 96.655               -211.762
 CID3   Fr= 1--     101.595                130.424                -41.150
 RC180  Fr= 1--       0.709                  0.640                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.07    -0.06   0.09  -0.05    -0.07   0.07   0.01
     2   6     0.05  -0.10   0.06    -0.01  -0.06  -0.07     0.02  -0.09  -0.01
     3   7     0.07  -0.08  -0.03    -0.00  -0.10  -0.09     0.03  -0.07  -0.06
     4  45    -0.01   0.01   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     5   7     0.06   0.12  -0.08     0.05  -0.03   0.04    -0.04  -0.07   0.06
     6   6     0.04   0.11  -0.00     0.05   0.01   0.09    -0.02  -0.09   0.01
     7   6    -0.07  -0.06   0.02     0.02   0.07   0.08     0.07   0.07  -0.01
     8   7    -0.09  -0.09   0.09    -0.01   0.06   0.01     0.06   0.08  -0.08
     9   7    -0.08   0.03   0.08    -0.04   0.11   0.05    -0.06   0.09   0.08
    10   7     0.07  -0.05   0.00    -0.11  -0.04  -0.09     0.10   0.01   0.07
    11   6     0.07  -0.02  -0.05    -0.03  -0.01  -0.13     0.04  -0.00   0.08
    12   1    -0.10  -0.11   0.11     0.02   0.11   0.09     0.09   0.14  -0.08
    13   1    -0.13  -0.11  -0.11     0.03   0.08   0.11     0.13   0.11   0.12
    14   1     0.09   0.17  -0.09     0.07   0.01   0.13    -0.08  -0.15   0.10
    15   1     0.05   0.19   0.13     0.04   0.01   0.07    -0.01  -0.18  -0.11
    16   1     0.10  -0.13   0.02    -0.00  -0.09  -0.15     0.07  -0.15  -0.10
    17   1     0.06  -0.15   0.15    -0.00  -0.11   0.03     0.00  -0.18   0.11
    18   1    -0.07   0.02   0.14    -0.07   0.16  -0.00    -0.09   0.14   0.09
    19   1    -0.08   0.04  -0.01    -0.10   0.14  -0.15    -0.13   0.12  -0.12
    20   1    -0.07   0.02   0.16    -0.01   0.11   0.17    -0.03   0.09   0.18
    21   1    -0.15   0.08   0.07    -0.09   0.20   0.04    -0.11   0.17   0.07
    22   1     0.10  -0.05  -0.14    -0.01  -0.08  -0.18     0.06  -0.06  -0.13
    23   1     0.13  -0.16  -0.02     0.01  -0.20  -0.07     0.06  -0.14  -0.06
    24   1     0.08   0.09  -0.22     0.07  -0.03   0.05    -0.06  -0.05   0.13
    25   1     0.11   0.24  -0.06     0.08  -0.05   0.04    -0.06  -0.14   0.05
    26   1    -0.06  -0.08   0.23    -0.04   0.07  -0.02     0.03   0.09  -0.17
    27   1    -0.18  -0.19   0.08    -0.03   0.10   0.01     0.11   0.16  -0.07
    28   6     0.04   0.02  -0.12     0.07   0.00   0.07    -0.04  -0.00  -0.08
    29   7    -0.02   0.06  -0.06     0.13  -0.01   0.07    -0.09   0.01  -0.07
    30   1     0.08  -0.09   0.07    -0.14  -0.04  -0.20     0.12  -0.01   0.16
    31   1     0.12  -0.06  -0.03    -0.21  -0.07  -0.04     0.18   0.02   0.03
    32   1     0.03  -0.02  -0.01     0.08   0.03  -0.25    -0.05  -0.03   0.18
    33   1     0.12  -0.04  -0.07    -0.14  -0.03  -0.18     0.13   0.00   0.11
    34   1     0.00   0.05  -0.17     0.19  -0.01   0.10    -0.14   0.01  -0.11
    35   1     0.08  -0.01  -0.17    -0.04   0.04   0.19     0.05  -0.04  -0.18
    36   1    -0.03   0.09  -0.08     0.16   0.02   0.19    -0.11  -0.01  -0.15
    37   1    -0.04   0.09  -0.05     0.23  -0.03   0.01    -0.17   0.03  -0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    215.2628               217.8485               221.5678
 Red. masses --      2.8013                 2.7824                 2.9697
 Frc consts  --      0.0765                 0.0778                 0.0859
 IR Inten    --      4.4550                 5.9166                15.5955
 RamAct Fr= 1--      2.8469                 2.8950                 0.0746
  Dep-P Fr= 1--      0.7242                 0.7500                 0.7366
  Dep-U Fr= 1--      0.8401                 0.8571                 0.8484
 Alpha2 Fr= 1--      0.0013                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3986                 0.4136                 0.0105
 AlphaG Fr= 1--     -0.0058                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.5373                -0.5516                -0.1151
 Delta2 Fr= 1--      0.1461                 0.0341                -0.0282
 Raman1 Fr= 1--      11.388                 11.580                  0.298
 ROA1   Fr= 1--     -46.908                -51.864                -11.948
 CID1   Fr= 1--      -4.119                 -4.479                -40.043
 Raman2 Fr= 1--       4.783                  4.963                  0.127
 ROA2   Fr= 1--     -14.065                -13.511                 -2.535
 CID2   Fr= 1--      -2.940                 -2.722                -20.032
 Raman3 Fr= 1--       9.566                  9.926                  0.253
 ROA3   Fr= 1--     -46.908                -51.864                -11.948
 CID3   Fr= 1--      -4.903                 -5.225                -47.201
 RC180  Fr= 1--       0.680                  0.714                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01    -0.07  -0.08  -0.00     0.00   0.04  -0.04
     2   6    -0.09  -0.00  -0.01    -0.05  -0.01  -0.00    -0.01   0.03  -0.04
     3   7    -0.11   0.10   0.10    -0.04  -0.06  -0.06    -0.01  -0.10  -0.04
     4  45     0.00  -0.01  -0.00    -0.01   0.00   0.02     0.00  -0.00   0.07
     5   7     0.11   0.09  -0.09    -0.03   0.07  -0.06    -0.00   0.10  -0.04
     6   6     0.09  -0.00   0.01    -0.05   0.01   0.00    -0.01  -0.03  -0.04
     7   6    -0.01   0.00   0.01    -0.06   0.08  -0.00    -0.00  -0.03  -0.04
     8   7     0.06   0.07  -0.08     0.00   0.13  -0.05     0.11   0.03  -0.04
     9   7    -0.06   0.08   0.09    -0.00  -0.12  -0.05     0.10  -0.03  -0.04
    10   7     0.02  -0.07  -0.02     0.14  -0.03   0.08    -0.12  -0.06  -0.04
    11   6     0.01  -0.10   0.02     0.02   0.03  -0.02     0.02  -0.06  -0.04
    12   1    -0.04  -0.07   0.10    -0.06   0.04   0.00     0.00  -0.12  -0.03
    13   1    -0.12   0.06  -0.01    -0.11   0.13   0.03    -0.08   0.01  -0.03
    14   1     0.04  -0.03   0.05    -0.09  -0.03   0.07    -0.10  -0.07  -0.04
    15   1     0.18  -0.04   0.05     0.02  -0.05  -0.03     0.07  -0.08  -0.03
    16   1    -0.04  -0.04  -0.05    -0.09   0.03   0.06    -0.10   0.07  -0.04
    17   1    -0.19  -0.04  -0.05     0.01   0.05  -0.03     0.07   0.07  -0.03
    18   1     0.04  -0.07  -0.10    -0.06  -0.04  -0.00     0.01   0.12  -0.04
    19   1     0.13   0.06   0.01    -0.11  -0.12   0.03    -0.07  -0.01  -0.03
    20   1    -0.08   0.03   0.24    -0.00  -0.10  -0.16     0.12   0.01  -0.17
    21   1    -0.13   0.21   0.07     0.06  -0.20  -0.04     0.21  -0.12  -0.02
    22   1    -0.08   0.10   0.26    -0.06  -0.06  -0.16    -0.05  -0.11  -0.18
    23   1    -0.19   0.25   0.08     0.01  -0.16  -0.04     0.01  -0.25  -0.02
    24   1     0.08   0.09  -0.25    -0.06   0.07  -0.17    -0.05   0.11  -0.18
    25   1     0.20   0.23  -0.07     0.02   0.17  -0.05     0.02   0.25  -0.02
    26   1     0.08   0.03  -0.23     0.01   0.10  -0.17     0.13  -0.01  -0.18
    27   1     0.13   0.19  -0.07     0.07   0.21  -0.04     0.22   0.12  -0.02
    28   6    -0.01  -0.10  -0.02     0.02  -0.04  -0.02     0.02   0.06  -0.04
    29   7    -0.02  -0.07   0.02     0.14   0.02   0.08    -0.12   0.06  -0.04
    30   1     0.02  -0.07  -0.01     0.18  -0.05   0.25    -0.16  -0.09  -0.18
    31   1     0.02  -0.05  -0.02     0.28  -0.08  -0.01    -0.25  -0.06   0.04
    32   1    -0.02  -0.14   0.05     0.02   0.18  -0.02     0.02  -0.15  -0.04
    33   1     0.04  -0.08   0.06    -0.06  -0.01  -0.10     0.10  -0.07  -0.03
    34   1    -0.05  -0.08  -0.06    -0.06   0.01  -0.10     0.09   0.06  -0.05
    35   1     0.01  -0.13  -0.05     0.01  -0.18  -0.02     0.03   0.14  -0.05
    36   1    -0.02  -0.08   0.01     0.18   0.04   0.25    -0.16   0.09  -0.18
    37   1    -0.03  -0.06   0.02     0.28   0.07  -0.00    -0.25   0.07   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    249.8713               290.3703               302.3422
 Red. masses --      4.7062                 2.0253                 2.0123
 Frc consts  --      0.1731                 0.1006                 0.1084
 IR Inten    --      0.0317                 1.6767                 1.5088
 RamAct Fr= 1--     15.8186                 0.8867                 1.8655
  Dep-P Fr= 1--      0.0780                 0.7449                 0.5228
  Dep-U Fr= 1--      0.1448                 0.8538                 0.6866
 Alpha2 Fr= 1--      0.2922                 0.0001                 0.0082
 Beta2  Fr= 1--      0.3817                 0.1262                 0.2135
 AlphaG Fr= 1--      0.2319                -0.0001                -0.0276
 Gamma2 Fr= 1--      5.8477                 0.4026                -1.3755
 Delta2 Fr= 1--      0.3785                -0.1743                -0.2269
 Raman1 Fr= 1--      63.275                  3.547                  7.462
 ROA1   Fr= 1--     573.495                 33.071               -139.307
 CID1   Fr= 1--       9.064                  9.324                -18.669
 Raman2 Fr= 1--       4.580                  1.514                  2.562
 ROA2   Fr= 1--     137.318                 11.056                -31.197
 CID2   Fr= 1--      29.983                  7.302                -12.177
 Raman3 Fr= 1--       9.160                  3.028                  5.124
 ROA3   Fr= 1--     573.495                 33.071               -139.307
 CID3   Fr= 1--      62.611                 10.920                -27.189
 RC180  Fr= 1--      -0.710                  0.708                  0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.09   0.01    -0.11   0.04   0.00    -0.10   0.04   0.01
     2   6    -0.16  -0.08   0.00    -0.04  -0.11  -0.01     0.01  -0.09  -0.00
     3   7    -0.15  -0.00  -0.01    -0.04   0.03   0.02     0.01   0.07   0.01
     4  45     0.00  -0.00   0.00     0.04  -0.00   0.00     0.00   0.04   0.00
     5   7     0.15  -0.01   0.01    -0.04  -0.04   0.03    -0.01   0.07  -0.01
     6   6     0.16  -0.09  -0.00    -0.03   0.12  -0.01    -0.02  -0.08   0.00
     7   6     0.14  -0.10  -0.01    -0.11  -0.04   0.00     0.09   0.03  -0.01
     8   7     0.09  -0.11  -0.03     0.05   0.04  -0.00    -0.03  -0.04   0.06
     9   7    -0.09  -0.11   0.03     0.04  -0.04   0.00     0.03  -0.04  -0.06
    10   7    -0.01   0.12   0.05    -0.00   0.03  -0.02     0.01  -0.04  -0.04
    11   6    -0.01   0.18  -0.02    -0.00   0.01   0.01    -0.01  -0.06  -0.02
    12   1     0.13  -0.05   0.02    -0.14  -0.24   0.10     0.12   0.17  -0.12
    13   1     0.16  -0.11  -0.01    -0.30  -0.00  -0.12     0.25  -0.01   0.09
    14   1     0.09  -0.12  -0.01     0.12   0.23  -0.13    -0.16  -0.18   0.09
    15   1     0.20  -0.12   0.00    -0.15   0.27   0.10     0.08  -0.21  -0.09
    16   1    -0.10  -0.11   0.01     0.09  -0.21  -0.12     0.16  -0.20  -0.10
    17   1    -0.20  -0.11  -0.00    -0.15  -0.24   0.09    -0.11  -0.23   0.10
    18   1    -0.14  -0.05  -0.02    -0.12   0.22   0.09    -0.13   0.20   0.13
    19   1    -0.17  -0.11   0.01    -0.27   0.01  -0.10    -0.28   0.01  -0.10
    20   1    -0.08  -0.10   0.03     0.11   0.02  -0.08     0.07   0.02  -0.23
    21   1    -0.09  -0.11   0.03     0.08  -0.12   0.01     0.10  -0.19  -0.04
    22   1    -0.13   0.00   0.03     0.02   0.05   0.14     0.10   0.10   0.12
    23   1    -0.16   0.04  -0.02    -0.10   0.13   0.01    -0.05   0.16   0.00
    24   1     0.12  -0.00  -0.03     0.03  -0.06   0.17    -0.10   0.10  -0.11
    25   1     0.16   0.04   0.02    -0.12  -0.15   0.01     0.05   0.15  -0.00
    26   1     0.08  -0.10  -0.03     0.12  -0.03  -0.10    -0.06   0.02   0.22
    27   1     0.09  -0.11  -0.03     0.10   0.13   0.01    -0.10  -0.18   0.05
    28   6     0.02   0.18   0.02    -0.00  -0.01   0.00     0.01  -0.06   0.02
    29   7     0.01   0.12  -0.05    -0.00  -0.02  -0.02    -0.01  -0.04   0.04
    30   1    -0.01   0.13   0.04    -0.01   0.06  -0.07     0.02  -0.04  -0.02
    31   1    -0.03   0.07   0.05    -0.05   0.03   0.00     0.02  -0.05  -0.05
    32   1     0.02   0.25  -0.06    -0.00  -0.01   0.01     0.01  -0.06  -0.05
    33   1    -0.06   0.13  -0.10    -0.00   0.03   0.03    -0.04  -0.05  -0.01
    34   1     0.07   0.13   0.10    -0.01  -0.02   0.02     0.04  -0.05   0.01
    35   1    -0.01   0.25   0.06     0.00   0.01  -0.00    -0.01  -0.05   0.05
    36   1     0.01   0.13  -0.05    -0.01  -0.06  -0.07    -0.02  -0.05   0.01
    37   1     0.02   0.07  -0.05    -0.04  -0.02  -0.00    -0.03  -0.05   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    306.5561               330.0604               331.5285
 Red. masses --      1.8432                 3.0968                 3.1757
 Frc consts  --      0.1021                 0.1988                 0.2057
 IR Inten    --      0.7089                 6.2467                 7.4720
 RamAct Fr= 1--      1.1681                 2.2194                 2.1703
  Dep-P Fr= 1--      0.1561                 0.7431                 0.7492
  Dep-U Fr= 1--      0.2701                 0.8526                 0.8566
 Alpha2 Fr= 1--      0.0178                 0.0003                 0.0000
 Beta2  Fr= 1--      0.0526                 0.3154                 0.3098
 AlphaG Fr= 1--      0.0462                -0.0022                -0.0002
 Gamma2 Fr= 1--      0.1893                -2.0179                -3.0749
 Delta2 Fr= 1--     -0.0768                -0.1312                -0.0922
 Raman1 Fr= 1--       4.673                  8.878                  8.681
 ROA1   Fr= 1--      15.720               -197.919               -298.138
 CID1   Fr= 1--       3.364                -22.294                -34.343
 Raman2 Fr= 1--       0.631                  3.785                  3.718
 ROA2   Fr= 1--       5.158                -47.381                -73.060
 CID2   Fr= 1--       8.174                -12.519                -19.650
 Raman3 Fr= 1--       1.262                  7.569                  7.436
 ROA3   Fr= 1--      15.720               -197.919               -298.138
 CID3   Fr= 1--      12.455                -26.148                -40.093
 RC180  Fr= 1--      -0.460                  0.705                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.01    -0.02  -0.06  -0.00    -0.02  -0.10   0.00
     2   6     0.02  -0.01   0.01     0.00   0.03  -0.00    -0.12   0.03   0.00
     3   7     0.01   0.01   0.04     0.02  -0.00  -0.09    -0.10  -0.06  -0.06
     4  45     0.00  -0.02  -0.00    -0.02   0.08   0.00     0.09   0.02  -0.00
     5   7    -0.01   0.01  -0.04     0.03  -0.03   0.10    -0.09   0.05  -0.00
     6   6    -0.02  -0.00  -0.01     0.06   0.03  -0.00    -0.11  -0.00   0.00
     7   6    -0.03   0.03  -0.01     0.03  -0.10   0.00    -0.01   0.06   0.00
     8   7    -0.03   0.03  -0.01     0.11  -0.04  -0.02    -0.03   0.02   0.09
     9   7     0.03   0.03   0.01    -0.08  -0.02  -0.02    -0.08  -0.03   0.10
    10   7     0.07  -0.04   0.05     0.06  -0.10  -0.01    -0.00   0.02  -0.06
    11   6    -0.04   0.06  -0.10    -0.03  -0.08  -0.06    -0.00  -0.01  -0.02
    12   1    -0.03   0.03  -0.01     0.00  -0.21   0.08     0.03   0.10  -0.11
    13   1    -0.03   0.04  -0.00    -0.09  -0.09  -0.08     0.08   0.04   0.06
    14   1    -0.03  -0.02   0.03     0.12   0.10  -0.13    -0.16  -0.05   0.05
    15   1     0.00  -0.03  -0.03    -0.02   0.14   0.07    -0.07  -0.07  -0.06
    16   1     0.03  -0.02  -0.03    -0.02   0.07   0.09    -0.20   0.11   0.11
    17   1    -0.01  -0.03   0.03     0.06   0.09  -0.04    -0.04   0.14  -0.09
    18   1     0.03   0.04   0.01    -0.02  -0.14  -0.02     0.02  -0.20  -0.14
    19   1     0.03   0.04  -0.00     0.04  -0.06   0.04     0.12  -0.08   0.10
    20   1     0.04   0.04   0.01    -0.14  -0.06  -0.05    -0.11  -0.09   0.30
    21   1     0.02   0.03   0.01    -0.06  -0.03  -0.02    -0.21   0.14   0.07
    22   1     0.02   0.00   0.10     0.01   0.01  -0.26    -0.17  -0.08  -0.18
    23   1    -0.01   0.06   0.03     0.09  -0.17  -0.07    -0.04  -0.20  -0.04
    24   1    -0.02   0.00  -0.10     0.07  -0.03   0.31    -0.15   0.08  -0.03
    25   1     0.01   0.06  -0.03    -0.07  -0.23   0.08    -0.08   0.09   0.00
    26   1    -0.04   0.04  -0.02     0.16  -0.10  -0.09    -0.02   0.05   0.28
    27   1    -0.02   0.03  -0.01     0.16   0.03  -0.02    -0.16  -0.13   0.07
    28   6     0.05   0.06   0.10     0.02  -0.08   0.06     0.01  -0.03   0.01
    29   7    -0.08  -0.04  -0.06    -0.06  -0.08   0.04    -0.04  -0.07  -0.05
    30   1     0.13  -0.04   0.24     0.10  -0.14   0.16    -0.02   0.07  -0.15
    31   1     0.23  -0.15  -0.05     0.20  -0.16  -0.09    -0.10   0.00  -0.01
    32   1     0.07   0.29  -0.23     0.03   0.02  -0.13     0.02  -0.02  -0.04
    33   1    -0.26  -0.02  -0.26    -0.15  -0.10  -0.11    -0.03   0.02   0.01
    34   1     0.26  -0.03   0.26     0.15  -0.09   0.09     0.04  -0.07   0.06
    35   1    -0.05   0.30   0.23    -0.04   0.01   0.14     0.00   0.03   0.02
    36   1    -0.13  -0.04  -0.25    -0.08  -0.08  -0.06    -0.08  -0.12  -0.21
    37   1    -0.25  -0.14   0.05    -0.13  -0.13   0.09    -0.19  -0.07   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    400.7955               402.0299               404.3493
 Red. masses --      4.4782                 3.7781                 4.5721
 Frc consts  --      0.4238                 0.3598                 0.4404
 IR Inten    --      1.4590                 0.4357                 1.8170
 RamAct Fr= 1--      0.7796                 3.8220                 3.2331
  Dep-P Fr= 1--      0.7489                 0.7459                 0.7499
  Dep-U Fr= 1--      0.8564                 0.8545                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0000
 Beta2  Fr= 1--      0.1113                 0.5443                 0.4618
 AlphaG Fr= 1--      0.0000                 0.0045                 0.0000
 Gamma2 Fr= 1--     -0.5642                 1.0332                -0.5161
 Delta2 Fr= 1--     -0.0634                 0.0839                 0.1587
 Raman1 Fr= 1--       3.118                 15.288                 12.932
 ROA1   Fr= 1--     -56.189                101.871                -44.463
 CID1   Fr= 1--     -18.019                  6.663                 -3.438
 Raman2 Fr= 1--       1.335                  6.532                  5.542
 ROA2   Fr= 1--     -13.032                 24.125                -13.655
 CID2   Fr= 1--      -9.760                  3.694                 -2.464
 Raman3 Fr= 1--       2.671                 13.063                 11.084
 ROA3   Fr= 1--     -56.189                101.871                -44.463
 CID3   Fr= 1--     -21.039                  7.798                 -4.011
 RC180  Fr= 1--       0.713                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.04     0.08   0.04   0.07    -0.09  -0.04  -0.05
     2   6     0.05   0.03  -0.04    -0.09  -0.06   0.06     0.05   0.03  -0.05
     3   7     0.05   0.09  -0.05    -0.10  -0.15   0.09     0.06   0.09  -0.04
     4  45    -0.02  -0.00   0.10    -0.00   0.07   0.00     0.08   0.00   0.04
     5   7     0.04  -0.07  -0.04     0.09  -0.15  -0.08     0.07  -0.12  -0.06
     6   6     0.04  -0.03  -0.03     0.08  -0.07  -0.06     0.06  -0.04  -0.06
     7   6    -0.03   0.01  -0.03    -0.07   0.04  -0.06    -0.10   0.05  -0.06
     8   7    -0.08  -0.01  -0.04    -0.14   0.01  -0.06    -0.18   0.01  -0.10
     9   7    -0.09   0.01  -0.05     0.15   0.00   0.07    -0.16  -0.01  -0.09
    10   7     0.06   0.18  -0.12    -0.02  -0.00   0.00    -0.06  -0.12   0.10
    11   6     0.08   0.12  -0.04     0.01  -0.01   0.00    -0.04  -0.07   0.02
    12   1    -0.05   0.06   0.02    -0.11   0.06   0.06    -0.15   0.10   0.08
    13   1    -0.02   0.00  -0.04    -0.10   0.02  -0.11    -0.13   0.04  -0.11
    14   1     0.08  -0.03   0.03     0.13  -0.09   0.08     0.11  -0.07   0.06
    15   1     0.03  -0.03  -0.04     0.09  -0.11  -0.11     0.07  -0.07  -0.10
    16   1     0.10   0.03   0.04    -0.14  -0.09  -0.09     0.09   0.05   0.05
    17   1     0.04   0.04  -0.05    -0.10  -0.11   0.12     0.06   0.05  -0.09
    18   1    -0.06  -0.07   0.03     0.13   0.07  -0.06    -0.14  -0.08   0.07
    19   1    -0.03  -0.00  -0.05     0.11   0.02   0.12    -0.12  -0.03  -0.10
    20   1    -0.15  -0.01  -0.12     0.13   0.03  -0.14    -0.19  -0.04  -0.02
    21   1    -0.01  -0.02  -0.03     0.27  -0.14   0.09    -0.23   0.04  -0.10
    22   1     0.11   0.12  -0.14    -0.11  -0.13  -0.10     0.06   0.08   0.05
    23   1     0.05  -0.00  -0.04    -0.07  -0.33   0.11    -0.01   0.15  -0.05
    24   1     0.09  -0.11  -0.15     0.11  -0.13   0.08     0.08  -0.10   0.06
    25   1     0.04   0.03  -0.02     0.06  -0.31  -0.11    -0.00  -0.20  -0.07
    26   1    -0.14   0.02  -0.14    -0.11   0.03   0.13    -0.20   0.05  -0.00
    27   1     0.02   0.03  -0.02    -0.24  -0.12  -0.08    -0.27  -0.05  -0.11
    28   6     0.07  -0.12  -0.04     0.00  -0.03  -0.01    -0.04   0.08   0.02
    29   7     0.05  -0.18  -0.12     0.03  -0.04  -0.02    -0.05   0.12   0.10
    30   1     0.01   0.22  -0.30    -0.02  -0.06   0.02    -0.08  -0.08   0.02
    31   1    -0.11   0.19  -0.02    -0.01  -0.00  -0.00    -0.14  -0.20   0.13
    32   1     0.13   0.15  -0.10     0.01  -0.02   0.01    -0.06  -0.07   0.04
    33   1    -0.08   0.20   0.03     0.02  -0.01   0.01     0.04  -0.14  -0.05
    34   1    -0.09  -0.19   0.03    -0.03  -0.04  -0.00     0.04   0.13  -0.05
    35   1     0.12  -0.15  -0.10     0.01  -0.04  -0.02    -0.06   0.07   0.04
    36   1    -0.00  -0.21  -0.30     0.03  -0.09  -0.05    -0.07   0.08   0.02
    37   1    -0.13  -0.18  -0.02     0.01  -0.04  -0.01    -0.13   0.20   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.5852               464.1120               503.6166
 Red. masses --      3.8719                 4.1367                 4.3001
 Frc consts  --      0.4839                 0.5250                 0.6426
 IR Inten    --      6.8792                 7.8452                 0.0002
 RamAct Fr= 1--      4.1429                 4.5741                43.5232
  Dep-P Fr= 1--      0.7500                 0.7339                 0.0015
  Dep-U Fr= 1--      0.8571                 0.8465                 0.0030
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.9638
 Beta2  Fr= 1--      0.5918                 0.6453                 0.0217
 AlphaG Fr= 1--     -0.0000                 0.0211                -0.2792
 Gamma2 Fr= 1--      0.7934                 1.2653                -0.6152
 Delta2 Fr= 1--      0.1428                 0.0764                 0.0663
 Raman1 Fr= 1--      16.571                 18.296                174.093
 ROA1   Fr= 1--      80.733                123.915                -56.938
 CID1   Fr= 1--       4.872                  6.773                 -0.327
 Raman2 Fr= 1--       7.102                  7.744                  0.260
 ROA2   Fr= 1--      17.898                 29.756                -15.295
 CID2   Fr= 1--       2.520                  3.842                -58.865
 Raman3 Fr= 1--      14.204                 15.488                  0.520
 ROA3   Fr= 1--      80.733                123.915                -56.938
 CID3   Fr= 1--       5.684                  8.001               -109.566
 RC180  Fr= 1--       0.714                  0.693                 -0.994
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.01   0.01  -0.01     0.00  -0.02   0.01
     2   6     0.02  -0.02   0.02     0.04   0.00  -0.01    -0.02   0.01  -0.00
     3   7    -0.03  -0.18   0.18     0.01  -0.03   0.07     0.02   0.14  -0.15
     4  45     0.03   0.00  -0.01    -0.00   0.03   0.00     0.00   0.00  -0.00
     5   7    -0.02   0.17   0.17    -0.01  -0.05  -0.09    -0.02   0.14   0.15
     6   6     0.01   0.02   0.02    -0.04   0.00   0.00     0.02   0.01   0.00
     7   6     0.02  -0.04   0.01     0.01   0.01   0.01    -0.00  -0.02  -0.01
     8   7    -0.10  -0.06  -0.15     0.12   0.04   0.13    -0.14  -0.05  -0.15
     9   7    -0.11   0.07  -0.16    -0.11   0.04  -0.11     0.14  -0.06   0.15
    10   7     0.01   0.02   0.01    -0.15  -0.10   0.21    -0.09  -0.08   0.15
    11   6     0.02   0.04  -0.01     0.00   0.02   0.04     0.00   0.01   0.02
    12   1    -0.01   0.08   0.07     0.04  -0.08  -0.07    -0.04   0.11   0.06
    13   1     0.05  -0.06   0.01    -0.00   0.04   0.03     0.03  -0.05  -0.02
    14   1    -0.11   0.01  -0.10     0.03   0.02   0.04    -0.11  -0.03  -0.07
    15   1     0.04   0.02   0.05    -0.04   0.01   0.00     0.06  -0.02   0.00
    16   1    -0.12   0.00  -0.10    -0.01   0.02  -0.03     0.10  -0.03   0.07
    17   1     0.05  -0.02   0.05     0.04   0.01  -0.01    -0.06  -0.02  -0.00
    18   1    -0.02  -0.09   0.07    -0.05  -0.07   0.06     0.04   0.10  -0.06
    19   1     0.05   0.06   0.00     0.00   0.03  -0.03    -0.04  -0.05   0.02
    20   1    -0.14   0.06  -0.26    -0.15   0.03  -0.16     0.15  -0.06   0.20
    21   1    -0.13  -0.06  -0.17    -0.10  -0.02  -0.11     0.12   0.02   0.14
    22   1    -0.08  -0.21   0.30     0.01  -0.04   0.11     0.03   0.15  -0.19
    23   1    -0.12  -0.09   0.17    -0.05  -0.02   0.07     0.10   0.09  -0.15
    24   1    -0.07   0.21   0.28    -0.00  -0.06  -0.15    -0.02   0.15   0.20
    25   1    -0.11   0.09   0.16     0.07  -0.03  -0.09    -0.09   0.10   0.15
    26   1    -0.13  -0.05  -0.25     0.16   0.03   0.19    -0.15  -0.05  -0.20
    27   1    -0.11   0.07  -0.15     0.12  -0.04   0.13    -0.12   0.03  -0.15
    28   6     0.02  -0.03  -0.01    -0.01   0.03  -0.04    -0.00   0.01  -0.02
    29   7     0.02  -0.03  -0.01     0.14  -0.11  -0.21     0.09  -0.09  -0.15
    30   1    -0.01   0.03  -0.08    -0.19  -0.20   0.12    -0.13  -0.10   0.03
    31   1    -0.07  -0.00   0.05    -0.22  -0.14   0.25    -0.18  -0.10   0.20
    32   1     0.05   0.09  -0.04    -0.01   0.06   0.05    -0.00   0.06   0.02
    33   1    -0.04   0.02  -0.04     0.07  -0.10  -0.11     0.03  -0.08  -0.09
    34   1    -0.05  -0.03  -0.03    -0.07  -0.09   0.11    -0.03  -0.08   0.09
    35   1     0.05  -0.08  -0.04     0.01   0.07  -0.05     0.00   0.06  -0.02
    36   1     0.00  -0.05  -0.09     0.18  -0.20  -0.11     0.13  -0.10  -0.03
    37   1    -0.05  -0.01   0.03     0.23  -0.15  -0.26     0.17  -0.11  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    534.0340               543.7142               558.9321
 Red. masses --      1.6472                 1.7309                 1.8293
 Frc consts  --      0.2768                 0.3015                 0.3367
 IR Inten    --      2.3516                 2.1009                 3.5653
 RamAct Fr= 1--      0.1014                 0.2708                 0.2507
  Dep-P Fr= 1--      0.7472                 0.7499                 0.6609
  Dep-U Fr= 1--      0.8553                 0.8571                 0.7958
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0004
 Beta2  Fr= 1--      0.0145                 0.0387                 0.0333
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0043
 Gamma2 Fr= 1--     -0.2132                 0.5577                -0.8403
 Delta2 Fr= 1--     -0.0431                 0.3157                -0.1842
 Raman1 Fr= 1--       0.406                  1.083                  1.003
 ROA1   Fr= 1--     -21.849                 63.644                -86.567
 CID1   Fr= 1--     -53.862                 58.762                -86.328
 Raman2 Fr= 1--       0.173                  0.464                  0.399
 ROA2   Fr= 1--      -4.772                 10.860                -18.694
 CID2   Fr= 1--     -27.510                 23.397                -46.852
 Raman3 Fr= 1--       0.347                  0.928                  0.798
 ROA3   Fr= 1--     -21.849                 63.644                -86.567
 CID3   Fr= 1--     -62.975                 68.560               -108.478
 RC180  Fr= 1--       0.711                  0.714                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.06    -0.00  -0.00   0.00     0.05   0.04   0.06
     2   6     0.06   0.03  -0.06     0.00   0.00  -0.00    -0.05  -0.02   0.06
     3   7     0.03  -0.05   0.05     0.00   0.00  -0.01    -0.02   0.06  -0.07
     4  45    -0.01  -0.00  -0.00    -0.01  -0.00  -0.02    -0.00  -0.03   0.00
     5   7     0.03   0.05   0.06     0.00  -0.00  -0.01     0.02   0.05   0.07
     6   6     0.06  -0.03  -0.06     0.00  -0.00  -0.00     0.05  -0.02  -0.06
     7   6    -0.05   0.03  -0.06    -0.00   0.00  -0.00    -0.05   0.04  -0.06
     8   7     0.02   0.04   0.05     0.02   0.01   0.02     0.04   0.05   0.07
     9   7     0.02  -0.04   0.04     0.02  -0.01   0.02    -0.04   0.05  -0.07
    10   7     0.00   0.02  -0.02    -0.05  -0.00   0.10     0.00   0.01  -0.00
    11   6     0.00   0.00   0.00     0.08   0.08  -0.02    -0.00   0.00   0.00
    12   1    -0.10  -0.15   0.09     0.00  -0.04   0.00    -0.09  -0.18   0.09
    13   1    -0.23   0.05  -0.19    -0.02   0.01  -0.01    -0.25   0.07  -0.20
    14   1    -0.10  -0.16   0.09    -0.01  -0.02   0.02    -0.13  -0.16   0.10
    15   1     0.17  -0.19  -0.18     0.02  -0.02  -0.02     0.16  -0.20  -0.20
    16   1    -0.09   0.15   0.08    -0.01   0.02   0.02     0.12  -0.17  -0.10
    17   1     0.17   0.17  -0.17     0.02   0.02  -0.01    -0.18  -0.20   0.21
    18   1    -0.09   0.15   0.09     0.00   0.03  -0.00     0.09  -0.19  -0.10
    19   1    -0.22  -0.04  -0.19    -0.02  -0.01  -0.01     0.26   0.06   0.21
    20   1     0.06  -0.05   0.25     0.02  -0.01   0.05    -0.04   0.08  -0.21
    21   1    -0.06   0.15   0.03    -0.00   0.02   0.02    -0.01  -0.11  -0.06
    22   1     0.01  -0.08   0.24    -0.02  -0.02   0.09    -0.03   0.07  -0.22
    23   1    -0.09   0.11   0.03     0.01   0.11  -0.03     0.11  -0.07  -0.05
    24   1     0.02   0.09   0.25    -0.01   0.02   0.10     0.03   0.07   0.21
    25   1    -0.10  -0.11   0.04    -0.00  -0.11  -0.03    -0.11  -0.06   0.05
    26   1     0.06   0.05   0.25     0.03   0.01   0.06     0.04   0.07   0.20
    27   1    -0.07  -0.15   0.03    -0.00  -0.02   0.02     0.01  -0.11   0.06
    28   6     0.00  -0.00   0.00     0.08  -0.08  -0.02    -0.00   0.00   0.00
    29   7     0.00  -0.02  -0.02    -0.05   0.00   0.10    -0.00   0.01   0.00
    30   1     0.02  -0.03   0.07    -0.13  -0.06  -0.15    -0.01   0.03  -0.05
    31   1     0.09   0.04  -0.07    -0.26  -0.01   0.22    -0.04  -0.00   0.02
    32   1    -0.01  -0.03   0.01     0.22   0.33  -0.19    -0.00   0.00   0.00
    33   1     0.02   0.02   0.03    -0.21  -0.01  -0.21    -0.00   0.00   0.00
    34   1     0.02  -0.02   0.03    -0.21   0.02  -0.21     0.01   0.00  -0.00
    35   1    -0.00   0.03   0.01     0.21  -0.34  -0.19    -0.00   0.01   0.00
    36   1     0.03   0.03   0.07    -0.13   0.07  -0.14     0.01   0.03   0.05
    37   1     0.09  -0.05  -0.07    -0.26   0.03   0.22     0.04  -0.00  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    680.5897               686.1545               714.9917
 Red. masses --      1.3007                 1.3081                 1.2854
 Frc consts  --      0.3550                 0.3629                 0.3871
 IR Inten    --      1.8806                 0.8007                 1.2751
 RamAct Fr= 1--      1.5752                 0.0338                 1.0722
  Dep-P Fr= 1--      0.0313                 0.7317                 0.6338
  Dep-U Fr= 1--      0.0608                 0.8451                 0.7759
 Alpha2 Fr= 1--      0.0325                 0.0000                 0.0023
 Beta2  Fr= 1--      0.0160                 0.0048                 0.1386
 AlphaG Fr= 1--      0.0132                -0.0000                 0.0862
 Gamma2 Fr= 1--      0.9771                 0.6346                -3.7223
 Delta2 Fr= 1--     -0.1146                -0.0260                 0.0748
 Raman1 Fr= 1--       6.301                  0.135                  4.289
 ROA1   Fr= 1--      90.135                 60.089               -354.951
 CID1   Fr= 1--      14.305                444.754                -82.761
 Raman2 Fr= 1--       0.191                  0.057                  1.664
 ROA2   Fr= 1--      24.367                 15.438                -89.935
 CID2   Fr= 1--     127.255                270.421                -54.054
 Raman3 Fr= 1--       0.383                  0.114                  3.328
 ROA3   Fr= 1--      90.135                 60.089               -354.951
 CID3   Fr= 1--     235.362                526.281               -106.670
 RC180  Fr= 1--      -0.878                  0.690                  0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.01   0.00  -0.02    -0.01  -0.00   0.01
     2   6    -0.00   0.00  -0.02     0.02   0.01   0.00     0.00  -0.01  -0.01
     3   7     0.02   0.00  -0.02    -0.02   0.04   0.07     0.01  -0.03  -0.04
     4  45    -0.00  -0.01  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
     5   7    -0.02   0.00   0.02    -0.02  -0.04   0.07    -0.01  -0.03   0.03
     6   6     0.00   0.00   0.02     0.01  -0.01   0.00    -0.00  -0.01   0.01
     7   6     0.01  -0.00   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   7     0.03   0.02  -0.06     0.02   0.03  -0.04     0.02   0.03  -0.04
     9   7    -0.03   0.02   0.05     0.02  -0.03  -0.04    -0.02   0.03   0.04
    10   7    -0.07   0.01  -0.02    -0.01  -0.01   0.01     0.06  -0.01   0.02
    11   6    -0.01   0.01   0.00     0.01   0.01   0.01     0.01  -0.02  -0.00
    12   1     0.00  -0.06   0.05    -0.02  -0.07   0.06    -0.01  -0.05   0.03
    13   1    -0.06   0.04   0.00    -0.09   0.03  -0.06    -0.06   0.04  -0.01
    14   1     0.01   0.02  -0.03     0.06   0.03  -0.05     0.06   0.04  -0.04
    15   1    -0.03   0.03   0.04    -0.07   0.05   0.00    -0.08   0.06   0.04
    16   1    -0.01   0.02   0.03     0.06  -0.04  -0.05    -0.05   0.04   0.04
    17   1     0.02   0.03  -0.04    -0.07  -0.05   0.00     0.08   0.06  -0.04
    18   1    -0.00  -0.06  -0.04    -0.01   0.08   0.06     0.01  -0.05  -0.03
    19   1     0.06   0.03  -0.00    -0.09  -0.03  -0.06     0.07   0.04   0.01
    20   1    -0.11   0.03  -0.28     0.08  -0.04   0.24    -0.08   0.04  -0.24
    21   1     0.28  -0.16   0.11    -0.21   0.15  -0.09     0.21  -0.16   0.09
    22   1     0.00  -0.01   0.06     0.05   0.13  -0.35    -0.00  -0.07   0.22
    23   1    -0.03   0.07  -0.03    -0.01  -0.38   0.14    -0.03   0.23  -0.08
    24   1     0.00  -0.02  -0.09     0.04  -0.13  -0.35    -0.00  -0.07  -0.21
    25   1     0.03   0.09   0.03     0.01   0.39   0.14     0.04   0.22   0.08
    26   1     0.12   0.03   0.30     0.08   0.03   0.22     0.08   0.03   0.24
    27   1    -0.30  -0.15  -0.11    -0.20  -0.14  -0.08    -0.21  -0.15  -0.09
    28   6     0.01   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.00
    29   7     0.07   0.01   0.02    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    30   1     0.00  -0.14   0.32    -0.01   0.00  -0.01    -0.00   0.13  -0.29
    31   1     0.25   0.09  -0.19    -0.02   0.02   0.02    -0.23  -0.05   0.18
    32   1    -0.02  -0.09   0.02     0.04   0.05  -0.03     0.03   0.09  -0.02
    33   1     0.07   0.03   0.04    -0.05  -0.01  -0.03    -0.08  -0.03  -0.04
    34   1    -0.07   0.03  -0.04    -0.05   0.01  -0.02     0.08  -0.03   0.04
    35   1     0.02  -0.10  -0.02     0.04  -0.05  -0.03    -0.02   0.09   0.02
    36   1    -0.01  -0.14  -0.32    -0.01   0.01   0.01     0.01   0.13   0.29
    37   1    -0.24   0.09   0.19    -0.00  -0.02   0.00     0.23  -0.06  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    742.5321               745.3809               767.8988
 Red. masses --      1.4607                 1.3937                 1.4360
 Frc consts  --      0.4745                 0.4562                 0.4989
 IR Inten    --      9.6791                 2.4171                16.6214
 RamAct Fr= 1--      0.1024                 1.1582                 0.6837
  Dep-P Fr= 1--      0.7485                 0.5496                 0.7497
  Dep-U Fr= 1--      0.8562                 0.7093                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0044                 0.0000
 Beta2  Fr= 1--      0.0146                 0.1369                 0.0976
 AlphaG Fr= 1--     -0.0000                 0.0079                -0.0000
 Gamma2 Fr= 1--     -0.8592                 3.3815                 1.0665
 Delta2 Fr= 1--     -0.0055                 0.0899                 0.0049
 Raman1 Fr= 1--       0.409                  4.633                  2.735
 ROA1   Fr= 1--     -82.655                327.500                102.540
 CID1   Fr= 1--    -201.859                 70.694                 37.495
 Raman2 Fr= 1--       0.175                  1.643                  1.172
 ROA2   Fr= 1--     -20.576                 80.436                 25.557
 CID2   Fr= 1--    -117.386                 48.958                 21.811
 Raman3 Fr= 1--       0.351                  3.286                  2.344
 ROA3   Fr= 1--     -82.655                327.500                102.540
 CID3   Fr= 1--    -235.768                 99.667                 43.755
 RC180  Fr= 1--       0.712                  0.419                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.01   0.01   0.03    -0.02  -0.02  -0.02
     2   6    -0.03   0.01   0.02    -0.03  -0.01   0.02     0.01  -0.01  -0.02
     3   7     0.01  -0.01  -0.03     0.00  -0.06  -0.07    -0.00   0.02   0.04
     4  45     0.01  -0.00   0.02     0.00   0.01   0.00     0.02  -0.00  -0.01
     5   7     0.01   0.01  -0.04    -0.00  -0.06   0.07    -0.00  -0.02   0.04
     6   6    -0.03  -0.01   0.02     0.02  -0.01  -0.02     0.01   0.01  -0.02
     7   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.02   0.02  -0.02
     8   7     0.01   0.02  -0.05    -0.03  -0.01   0.04    -0.04  -0.03   0.06
     9   7     0.00  -0.02  -0.05     0.03  -0.01  -0.04    -0.04   0.03   0.06
    10   7    -0.08   0.03  -0.01    -0.03   0.00  -0.01    -0.06  -0.00  -0.01
    11   6     0.04   0.02  -0.01    -0.01  -0.00  -0.00     0.03   0.02   0.02
    12   1     0.02   0.04  -0.06    -0.03  -0.01   0.05    -0.03   0.03   0.01
    13   1     0.06   0.01   0.12    -0.05  -0.01  -0.12    -0.00  -0.03  -0.09
    14   1     0.04   0.05  -0.07     0.05  -0.01   0.01    -0.01  -0.03   0.06
    15   1    -0.05   0.07   0.12    -0.04  -0.01  -0.10     0.02  -0.05  -0.12
    16   1     0.04  -0.05  -0.07    -0.05  -0.00  -0.01    -0.01   0.03   0.06
    17   1    -0.05  -0.07   0.11     0.03  -0.01   0.10     0.02   0.05  -0.12
    18   1     0.02  -0.04  -0.06     0.03  -0.02  -0.05    -0.03  -0.03   0.01
    19   1     0.05  -0.01   0.11     0.05  -0.01   0.12     0.00   0.03  -0.10
    20   1     0.09  -0.00   0.17     0.09  -0.00   0.17    -0.12   0.04  -0.28
    21   1    -0.17   0.09  -0.08    -0.21   0.08  -0.08     0.29  -0.16   0.12
    22   1    -0.05  -0.05   0.10    -0.04  -0.13   0.34     0.04   0.07  -0.15
    23   1     0.03   0.12  -0.05     0.03   0.41  -0.15    -0.03  -0.18   0.08
    24   1    -0.05   0.06   0.11     0.04  -0.13  -0.34     0.04  -0.07  -0.14
    25   1     0.02  -0.14  -0.06    -0.01   0.40   0.15    -0.02   0.18   0.07
    26   1     0.09  -0.00   0.17    -0.09  -0.00  -0.17    -0.12  -0.04  -0.28
    27   1    -0.18  -0.08  -0.09     0.21   0.08   0.08     0.29   0.15   0.12
    28   6     0.04  -0.02  -0.01     0.01  -0.01   0.00     0.02  -0.02   0.02
    29   7    -0.08  -0.03  -0.01     0.03  -0.00   0.00    -0.06   0.01  -0.01
    30   1    -0.02  -0.22   0.35     0.00  -0.05   0.13    -0.02  -0.15   0.23
    31   1     0.26   0.11  -0.20     0.09   0.02  -0.08     0.18   0.10  -0.14
    32   1     0.11   0.00  -0.09    -0.01  -0.05   0.00     0.12   0.05  -0.09
    33   1    -0.03   0.04   0.00     0.02   0.01   0.02    -0.08   0.00  -0.02
    34   1    -0.03  -0.04   0.00    -0.03   0.01  -0.02    -0.08  -0.00  -0.02
    35   1     0.11  -0.01  -0.09     0.01  -0.05  -0.01     0.12  -0.06  -0.09
    36   1    -0.01   0.22   0.35    -0.00  -0.04  -0.12    -0.01   0.15   0.23
    37   1     0.25  -0.12  -0.20    -0.08   0.01   0.07     0.18  -0.11  -0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2363               866.3049               867.6155
 Red. masses --      3.2179                 3.1894                 3.1366
 Frc consts  --      1.4226                 1.4103                 1.3911
 IR Inten    --     10.3393                10.1638                 0.0085
 RamAct Fr= 1--      1.0912                 0.7978                 8.9852
  Dep-P Fr= 1--      0.7415                 0.7416                 0.0492
  Dep-U Fr= 1--      0.8516                 0.8516                 0.0938
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.1778
 Beta2  Fr= 1--      0.1549                 0.1132                 0.1405
 AlphaG Fr= 1--     -0.0004                 0.0007                -0.0761
 Gamma2 Fr= 1--      0.4511                 0.7662                -1.7034
 Delta2 Fr= 1--      0.5790                 0.7189                -2.1469
 Raman1 Fr= 1--       4.365                  3.191                 35.941
 ROA1   Fr= 1--      61.832                 96.563               -232.223
 CID1   Fr= 1--      14.166                 30.261                 -6.461
 Raman2 Fr= 1--       1.858                  1.359                  1.686
 ROA2   Fr= 1--       6.195                 12.639                -23.705
 CID2   Fr= 1--       3.333                  9.301                -14.061
 Raman3 Fr= 1--       3.717                  2.718                  3.372
 ROA3   Fr= 1--      61.832                 96.563               -232.223
 CID3   Fr= 1--      16.636                 35.532                -68.871
 RC180  Fr= 1--       0.703                  0.703                 -0.812
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.08   0.08     0.08   0.07   0.09     0.10   0.05   0.10
     2   6     0.09   0.05  -0.09     0.10   0.05  -0.09     0.12   0.03  -0.08
     3   7    -0.08  -0.01  -0.03    -0.08  -0.01  -0.04    -0.12   0.00  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.12   0.01  -0.05     0.03  -0.00   0.02     0.13  -0.00   0.05
     6   6     0.14  -0.07  -0.13    -0.03   0.02   0.03    -0.12   0.02   0.06
     7   6     0.11  -0.11   0.12    -0.03   0.02  -0.03    -0.10   0.04  -0.10
     8   7    -0.07   0.13   0.06     0.01  -0.03  -0.01     0.04  -0.04  -0.02
     9   7    -0.06  -0.09   0.05    -0.05  -0.09   0.04    -0.05  -0.06   0.03
    10   7    -0.00   0.01   0.00     0.03  -0.12  -0.08    -0.02   0.08   0.04
    11   6    -0.04  -0.04   0.03     0.13   0.15  -0.01    -0.09  -0.10   0.02
    12   1     0.03  -0.06   0.34    -0.01   0.02  -0.09    -0.01   0.10  -0.38
    13   1    -0.03  -0.05   0.08     0.01   0.01  -0.02     0.10   0.01   0.04
    14   1     0.10   0.01  -0.42    -0.02   0.00   0.09    -0.04   0.02   0.17
    15   1     0.01   0.08  -0.03    -0.00  -0.02   0.01    -0.04  -0.01   0.10
    16   1     0.07  -0.01  -0.30     0.07  -0.01  -0.30     0.06   0.01  -0.23
    17   1    -0.00  -0.06  -0.02     0.00  -0.06  -0.02     0.03  -0.03  -0.08
    18   1     0.03   0.04   0.22     0.03   0.04   0.24     0.02   0.09   0.36
    19   1    -0.01   0.04   0.06    -0.02   0.03   0.06    -0.08   0.02  -0.01
    20   1    -0.05  -0.07  -0.02    -0.04  -0.07   0.00    -0.07  -0.06  -0.01
    21   1    -0.08  -0.18   0.05    -0.10  -0.17   0.03    -0.11  -0.15   0.02
    22   1    -0.08  -0.01   0.01    -0.09  -0.02   0.03    -0.10   0.01  -0.03
    23   1    -0.18  -0.01  -0.03    -0.19   0.02  -0.04    -0.20  -0.01  -0.04
    24   1    -0.12   0.02   0.02     0.03  -0.01  -0.02     0.09   0.01   0.03
    25   1    -0.26   0.01  -0.05     0.06   0.02   0.02     0.19  -0.01   0.05
    26   1    -0.06   0.10  -0.02     0.01  -0.02  -0.01     0.06  -0.06   0.01
    27   1    -0.12   0.26   0.06     0.04  -0.05  -0.00     0.11  -0.13  -0.01
    28   6     0.03  -0.04   0.02    -0.12   0.16   0.03     0.08  -0.10  -0.01
    29   7     0.01   0.05  -0.04    -0.03  -0.11   0.07     0.03   0.08  -0.05
    30   1     0.01   0.06   0.02    -0.00  -0.25  -0.14     0.01   0.17   0.11
    31   1     0.01   0.03  -0.00    -0.02  -0.11  -0.06     0.03   0.05   0.01
    32   1     0.02   0.04  -0.03     0.08  -0.02   0.04    -0.05  -0.00  -0.03
    33   1    -0.17  -0.02   0.02     0.37   0.07  -0.08    -0.25  -0.04   0.06
    34   1     0.04  -0.02  -0.02    -0.41   0.09   0.08     0.22  -0.04  -0.06
    35   1     0.05  -0.03  -0.01    -0.06  -0.04  -0.05     0.06  -0.02   0.02
    36   1     0.01   0.07  -0.05    -0.00  -0.25   0.13     0.00   0.16  -0.13
    37   1     0.01   0.03  -0.03     0.02  -0.11   0.04    -0.03   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9118               872.6305               874.0421
 Red. masses --      2.5441                 2.4747                 2.5530
 Frc consts  --      1.1317                 1.1103                 1.1491
 IR Inten    --      2.0569                 0.0609                 3.0438
 RamAct Fr= 1--      2.0071                 3.1056                 0.4480
  Dep-P Fr= 1--      0.7275                 0.6028                 0.7468
  Dep-U Fr= 1--      0.8422                 0.7522                 0.8550
 Alpha2 Fr= 1--      0.0008                 0.0085                 0.0000
 Beta2  Fr= 1--      0.2818                 0.3893                 0.0638
 AlphaG Fr= 1--     -0.0003                 0.0012                 0.0000
 Gamma2 Fr= 1--      0.3585                -1.3199                 0.6972
 Delta2 Fr= 1--     -0.2793                -0.6024                 0.0975
 Raman1 Fr= 1--       8.029                 12.422                  1.792
 ROA1   Fr= 1--      25.483               -145.981                 70.052
 CID1   Fr= 1--       3.174                -11.751                 39.095
 Raman2 Fr= 1--       3.381                  4.672                  0.766
 ROA2   Fr= 1--      10.840                -26.858                 15.953
 CID2   Fr= 1--       3.206                 -5.749                 20.824
 Raman3 Fr= 1--       6.762                  9.344                  1.532
 ROA3   Fr= 1--      25.483               -145.981                 70.052
 CID3   Fr= 1--       3.769                -15.623                 45.723
 RC180  Fr= 1--       0.684                  0.504                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06  -0.07     0.03  -0.10   0.04     0.02  -0.06   0.03
     2   6    -0.07   0.06  -0.03     0.04  -0.09   0.07     0.02  -0.05   0.04
     3   7     0.12  -0.02   0.05    -0.10   0.02  -0.04    -0.06   0.00  -0.05
     4  45    -0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.01
     5   7     0.12   0.01   0.05     0.09   0.02   0.05    -0.04   0.00  -0.04
     6   6    -0.06  -0.07  -0.04    -0.04  -0.09  -0.07     0.02   0.04   0.03
     7   6    -0.05  -0.07  -0.06    -0.03  -0.10  -0.04     0.01   0.04   0.03
     8   7    -0.03   0.09   0.05    -0.04   0.13   0.05     0.03  -0.04  -0.04
     9   7    -0.03  -0.07   0.04     0.05   0.12  -0.05     0.04   0.07  -0.05
    10   7     0.03  -0.08  -0.06    -0.01  -0.00  -0.00     0.02  -0.11  -0.11
    11   6    -0.01   0.01   0.08     0.02   0.03  -0.02    -0.02   0.01   0.14
    12   1     0.03   0.12  -0.33     0.03   0.09  -0.25    -0.01  -0.04   0.11
    13   1     0.17  -0.05   0.19     0.14  -0.03   0.22    -0.06   0.03  -0.05
    14   1     0.07   0.06  -0.25     0.12   0.08  -0.38    -0.05  -0.03   0.14
    15   1    -0.09   0.11   0.19    -0.12   0.15   0.21     0.07  -0.05  -0.05
    16   1     0.05  -0.05  -0.18    -0.11   0.08   0.37    -0.07   0.04   0.21
    17   1    -0.09  -0.09   0.18     0.13   0.14  -0.22     0.09   0.08  -0.09
    18   1     0.02  -0.12  -0.34    -0.03   0.09   0.26    -0.01   0.06   0.16
    19   1     0.16   0.04   0.17    -0.14  -0.02  -0.23    -0.09  -0.03  -0.09
    20   1     0.04  -0.01   0.02    -0.03   0.08  -0.09    -0.00   0.03   0.02
    21   1     0.07  -0.03   0.06     0.01   0.07  -0.05    -0.06   0.09  -0.07
    22   1     0.04  -0.05   0.06     0.01   0.07  -0.07    -0.00   0.01   0.03
    23   1     0.08  -0.04   0.06    -0.01   0.04  -0.05    -0.03   0.11  -0.07
    24   1     0.04   0.06   0.06    -0.01   0.07   0.06    -0.00  -0.00   0.04
    25   1     0.06   0.05   0.06     0.01   0.06   0.06    -0.03  -0.09  -0.06
    26   1     0.04   0.03   0.03     0.03   0.08   0.08     0.00  -0.01   0.03
    27   1     0.06   0.06   0.07     0.00   0.08   0.06    -0.07  -0.07  -0.06
    28   6    -0.02   0.01   0.08    -0.01   0.03  -0.01    -0.02  -0.01   0.14
    29   7     0.04   0.07  -0.05    -0.00  -0.03   0.03     0.03   0.11  -0.11
    30   1     0.03   0.03  -0.14    -0.00  -0.04   0.02     0.04  -0.02  -0.10
    31   1    -0.02   0.00  -0.02     0.01  -0.03  -0.02     0.04   0.00  -0.11
    32   1     0.11   0.13  -0.06    -0.02  -0.06   0.03     0.24   0.19  -0.15
    33   1    -0.22  -0.04  -0.01     0.13   0.03  -0.00    -0.41  -0.03   0.01
    34   1    -0.24   0.05  -0.01    -0.03   0.02   0.00    -0.42   0.05   0.01
    35   1     0.10  -0.13  -0.07    -0.03  -0.01   0.01     0.23  -0.21  -0.16
    36   1     0.03  -0.05  -0.13    -0.01  -0.04   0.01     0.04   0.01  -0.10
    37   1    -0.02  -0.01  -0.01    -0.02  -0.03   0.04     0.04  -0.01  -0.11
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.7040               983.0581               983.4969
 Red. masses --      2.1966                 2.2119                 2.2060
 Frc consts  --      1.2473                 1.2594                 1.2572
 IR Inten    --      6.4901                 1.4707                 1.9450
 RamAct Fr= 1--      1.1865                 2.3658                 4.3056
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7495
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1695                 0.3380                 0.6148
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0006
 Gamma2 Fr= 1--      0.0616                 0.0505                 1.2118
 Delta2 Fr= 1--     -0.5464                 0.0440                 1.0425
 Raman1 Fr= 1--       4.746                  9.463                 17.223
 ROA1   Fr= 1--     -11.567                  6.261                149.690
 CID1   Fr= 1--      -2.437                  0.662                  8.692
 Raman2 Fr= 1--       2.034                  4.056                  7.378
 ROA2   Fr= 1--       5.850                  0.861                 20.742
 CID2   Fr= 1--       2.876                  0.212                  2.811
 Raman3 Fr= 1--       4.068                  8.111                 14.756
 ROA3   Fr= 1--     -11.567                  6.261                149.690
 CID3   Fr= 1--      -2.843                  0.772                 10.144
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.11  -0.07  -0.00     0.12   0.08   0.01
     2   6     0.06   0.03   0.00     0.12   0.06  -0.00    -0.13  -0.07  -0.01
     3   7    -0.03  -0.01  -0.00    -0.06  -0.02  -0.00     0.07   0.02   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.01  -0.00    -0.06   0.02  -0.00    -0.07   0.02  -0.01
     6   6     0.06  -0.03   0.00     0.11  -0.06  -0.00     0.13  -0.08   0.01
     7   6    -0.06   0.04  -0.00    -0.11   0.07   0.00    -0.12   0.08  -0.01
     8   7     0.02  -0.02   0.00     0.04  -0.04  -0.00     0.05  -0.05  -0.00
     9   7     0.02   0.02   0.00     0.04   0.04  -0.00    -0.05  -0.05   0.00
    10   7    -0.00  -0.08  -0.02     0.00   0.04   0.01    -0.00  -0.00   0.00
    11   6     0.01   0.18   0.00    -0.00  -0.10  -0.00    -0.01   0.01  -0.01
    12   1    -0.04   0.14  -0.05    -0.09   0.27  -0.09    -0.10   0.28  -0.09
    13   1     0.06   0.02   0.08     0.12   0.04   0.17     0.10   0.07   0.18
    14   1     0.14   0.02  -0.04     0.26   0.03  -0.08     0.33   0.05  -0.10
    15   1    -0.00   0.06   0.08     0.00   0.12   0.16    -0.02   0.15   0.19
    16   1     0.15  -0.03  -0.04     0.27  -0.05  -0.09    -0.32   0.06   0.10
    17   1    -0.01  -0.06   0.08    -0.01  -0.12   0.16     0.03   0.14  -0.19
    18   1    -0.05  -0.14  -0.05    -0.10  -0.27  -0.09     0.11   0.27   0.08
    19   1     0.06  -0.02   0.08     0.11  -0.05   0.17    -0.09   0.07  -0.17
    20   1     0.06   0.05   0.01     0.11   0.08   0.03    -0.09  -0.07  -0.04
    21   1     0.07   0.06   0.01     0.14   0.11   0.01    -0.16  -0.15  -0.01
    22   1    -0.07  -0.02   0.00    -0.11  -0.04   0.03     0.16   0.06  -0.04
    23   1    -0.09  -0.04   0.01    -0.17  -0.05   0.01     0.16   0.04  -0.00
    24   1    -0.06   0.02   0.00    -0.10   0.04   0.02    -0.16   0.07   0.04
    25   1    -0.08   0.04   0.01    -0.17   0.06   0.01    -0.17   0.05   0.00
    26   1     0.05  -0.05   0.01     0.10  -0.09   0.02     0.09  -0.08   0.04
    27   1     0.06  -0.06   0.01     0.13  -0.11   0.01     0.15  -0.16   0.01
    28   6    -0.00  -0.18   0.00    -0.00   0.09  -0.00     0.01   0.00   0.01
    29   7    -0.00   0.08  -0.02     0.00  -0.04   0.01     0.00  -0.00  -0.00
    30   1    -0.04  -0.26  -0.05     0.02   0.13   0.01     0.01   0.04   0.01
    31   1    -0.05  -0.15  -0.01     0.02   0.10   0.01    -0.00  -0.06  -0.00
    32   1    -0.18  -0.09   0.22     0.09   0.05  -0.11    -0.02  -0.06   0.00
    33   1     0.21   0.29   0.19    -0.10  -0.16  -0.11     0.04   0.02   0.02
    34   1     0.19  -0.30   0.19    -0.09   0.16  -0.11    -0.04   0.02  -0.02
    35   1    -0.18   0.09   0.22     0.08  -0.04  -0.11     0.02  -0.06  -0.00
    36   1    -0.03   0.26  -0.05     0.01  -0.14   0.01    -0.01   0.04  -0.01
    37   1    -0.04   0.15  -0.01     0.02  -0.09   0.01    -0.00  -0.06   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    998.5077              1000.8016              1008.6616
 Red. masses --      1.2447                 1.2587                 1.2682
 Frc consts  --      0.7312                 0.7428                 0.7602
 IR Inten    --     11.0218                 1.4117                 9.7873
 RamAct Fr= 1--      0.2089                 0.8233                 0.4898
  Dep-P Fr= 1--      0.7499                 0.0325                 0.3357
  Dep-U Fr= 1--      0.8571                 0.0629                 0.5027
 Alpha2 Fr= 1--      0.0000                 0.0170                 0.0045
 Beta2  Fr= 1--      0.0298                 0.0086                 0.0410
 AlphaG Fr= 1--      0.0000                -0.0071                -0.1061
 Gamma2 Fr= 1--      1.3523                 0.6641                -1.2967
 Delta2 Fr= 1--      0.1247                 0.0009                 0.2003
 Raman1 Fr= 1--       0.836                  3.293                  1.959
 ROA1   Fr= 1--     133.813                 63.784               -118.073
 CID1   Fr= 1--     160.143                 19.368                -60.261
 Raman2 Fr= 1--       0.358                  0.104                  0.492
 ROA2   Fr= 1--      31.458                 15.932                -32.723
 CID2   Fr= 1--      87.852                153.873                -66.450
 Raman3 Fr= 1--       0.716                  0.207                  0.985
 ROA3   Fr= 1--     133.813                 63.784               -118.073
 CID3   Fr= 1--     186.850                308.011               -119.884
 RC180  Fr= 1--       0.714                 -0.874                  0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.03     0.04  -0.02  -0.01    -0.04   0.04   0.03
     2   6     0.01  -0.06  -0.03    -0.02   0.02   0.02     0.01  -0.05  -0.03
     3   7    -0.01   0.01  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.01  -0.00    -0.00  -0.01   0.01     0.01   0.01  -0.00
     6   6     0.01   0.06  -0.03     0.02   0.02  -0.02    -0.02  -0.05   0.03
     7   6    -0.05  -0.05   0.03    -0.04  -0.01   0.01     0.04   0.04  -0.03
     8   7     0.01   0.02  -0.00     0.01   0.00   0.01    -0.01  -0.02   0.00
     9   7     0.01  -0.01  -0.00    -0.01   0.00  -0.01     0.00  -0.02  -0.00
    10   7    -0.00   0.00   0.00    -0.01   0.00  -0.02    -0.01  -0.00  -0.01
    11   6     0.00   0.00  -0.00     0.07  -0.02   0.05     0.03  -0.01   0.04
    12   1     0.00   0.16  -0.13    -0.01   0.11  -0.09     0.00  -0.15   0.10
    13   1     0.21  -0.15   0.10     0.11  -0.07   0.06    -0.17   0.13  -0.09
    14   1    -0.17  -0.08   0.13    -0.04  -0.03   0.04     0.14   0.06  -0.10
    15   1     0.24  -0.13  -0.09     0.10  -0.04  -0.02    -0.19   0.10   0.08
    16   1    -0.16   0.08   0.12     0.04  -0.03  -0.05    -0.13   0.07   0.10
    17   1     0.23   0.11  -0.08    -0.12  -0.04   0.03     0.20   0.09  -0.08
    18   1    -0.00  -0.16  -0.12     0.01   0.12   0.10    -0.01  -0.16  -0.11
    19   1     0.20   0.13   0.10    -0.13  -0.07  -0.07     0.18   0.12   0.09
    20   1     0.23   0.14   0.03    -0.13  -0.08  -0.01     0.22   0.13   0.04
    21   1    -0.14  -0.12  -0.03     0.07   0.08   0.01    -0.12  -0.11  -0.02
    22   1     0.26   0.13  -0.02    -0.12  -0.06   0.01     0.21   0.11  -0.03
    23   1    -0.20  -0.03   0.01     0.13   0.05  -0.02    -0.17  -0.06   0.02
    24   1     0.26  -0.14  -0.02     0.10  -0.06  -0.01    -0.21   0.12   0.03
    25   1    -0.20   0.05   0.02    -0.11   0.05   0.02     0.16  -0.07  -0.02
    26   1     0.24  -0.16   0.03     0.11  -0.08   0.01    -0.21   0.14  -0.04
    27   1    -0.14   0.14  -0.03    -0.05   0.07  -0.01     0.12  -0.11   0.02
    28   6    -0.00  -0.00  -0.00    -0.07  -0.02  -0.05    -0.03  -0.01  -0.04
    29   7    -0.00  -0.00   0.00     0.01   0.00   0.02     0.01  -0.00   0.01
    30   1    -0.00  -0.01  -0.00    -0.05  -0.24  -0.04    -0.03  -0.13  -0.01
    31   1    -0.01   0.01   0.01     0.04   0.35   0.00     0.04   0.20  -0.01
    32   1    -0.00   0.00   0.00     0.12   0.30  -0.02     0.07   0.19  -0.00
    33   1    -0.00  -0.00  -0.01    -0.20  -0.11  -0.11    -0.14  -0.06  -0.06
    34   1     0.01  -0.01   0.00     0.20  -0.12   0.12     0.13  -0.07   0.06
    35   1    -0.01   0.02   0.01    -0.11   0.30   0.03    -0.06   0.20   0.00
    36   1    -0.00  -0.01   0.00     0.04  -0.24   0.04     0.02  -0.14   0.01
    37   1    -0.01   0.01   0.01    -0.02   0.35  -0.00    -0.03   0.20   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.2131              1048.8355              1050.3416
 Red. masses --      3.1942                 3.1878                 3.1363
 Frc consts  --      2.0678                 2.0661                 2.0386
 IR Inten    --     67.9328                59.4079                 9.0356
 RamAct Fr= 1--      0.2875                 1.1412                 1.2997
  Dep-P Fr= 1--      0.7466                 0.6781                 0.3651
  Dep-U Fr= 1--      0.8549                 0.8081                 0.5349
 Alpha2 Fr= 1--      0.0000                 0.0014                 0.0109
 Beta2  Fr= 1--      0.0410                 0.1537                 0.1159
 AlphaG Fr= 1--     -0.0001                 0.0191                -0.0234
 Gamma2 Fr= 1--      1.1733                -0.6914                 0.4003
 Delta2 Fr= 1--      0.6189                -0.9151                 0.8799
 Raman1 Fr= 1--       1.150                  4.565                  5.199
 ROA1   Fr= 1--     132.446                -95.654                 66.580
 CID1   Fr= 1--     115.155                -20.954                 12.807
 Raman2 Fr= 1--       0.492                  1.845                  1.390
 ROA2   Fr= 1--      23.209                 -9.272                  2.567
 CID2   Fr= 1--      47.206                 -5.027                  1.846
 Raman3 Fr= 1--       0.983                  3.689                  2.781
 ROA3   Fr= 1--     132.446                -95.654                 66.580
 CID3   Fr= 1--     134.697                -25.929                 23.944
 RC180  Fr= 1--       0.710                  0.616                  0.070
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.14    -0.01  -0.03   0.05     0.03   0.11  -0.15
     2   6     0.09  -0.03   0.15    -0.02   0.01  -0.05     0.10  -0.04   0.16
     3   7    -0.10  -0.01  -0.01     0.03   0.00   0.01    -0.11  -0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.12   0.01  -0.01    -0.02   0.00  -0.01     0.10  -0.01   0.01
     6   6     0.11   0.03   0.17     0.02   0.00   0.04    -0.09  -0.03  -0.14
     7   6     0.03  -0.11  -0.16     0.01  -0.02  -0.04    -0.02   0.10   0.14
     8   7    -0.06   0.10   0.01    -0.01   0.02   0.00     0.05  -0.08  -0.01
     9   7    -0.06  -0.08   0.01     0.02   0.03  -0.00    -0.06  -0.09   0.01
    10   7    -0.00   0.00   0.00     0.01   0.13   0.07     0.00   0.03   0.02
    11   6     0.00  -0.00  -0.00     0.16  -0.10  -0.17     0.04  -0.03  -0.05
    12   1     0.08  -0.11  -0.32     0.02  -0.05  -0.06    -0.07   0.11   0.29
    13   1     0.09  -0.17  -0.20    -0.00  -0.02  -0.05    -0.07   0.14   0.16
    14   1     0.14  -0.01   0.33     0.03   0.00   0.05    -0.11   0.01  -0.29
    15   1     0.17   0.00   0.20     0.03   0.01   0.05    -0.16   0.00  -0.17
    16   1     0.12   0.01   0.29    -0.04   0.00  -0.08     0.12   0.01   0.33
    17   1     0.15  -0.01   0.17    -0.04   0.01  -0.07     0.18  -0.00   0.20
    18   1     0.07   0.09  -0.28    -0.03  -0.05   0.08     0.09   0.12  -0.33
    19   1     0.08   0.14  -0.18    -0.00  -0.03   0.06     0.09   0.15  -0.18
    20   1    -0.01  -0.05   0.04     0.03   0.03  -0.01    -0.01  -0.07   0.03
    21   1     0.12   0.03   0.04    -0.06  -0.02  -0.02     0.11   0.03   0.04
    22   1    -0.06   0.02  -0.04     0.03   0.00   0.00    -0.04   0.03  -0.04
    23   1     0.11   0.09  -0.04    -0.03  -0.04   0.02     0.08   0.08  -0.04
    24   1    -0.07  -0.02  -0.04    -0.02   0.01  -0.00     0.03   0.03   0.03
    25   1     0.12  -0.11  -0.05     0.02  -0.03  -0.01    -0.06   0.07   0.03
    26   1    -0.00   0.06   0.04    -0.03   0.03   0.01     0.01  -0.06  -0.03
    27   1     0.14  -0.04   0.05     0.05  -0.02   0.01    -0.10   0.03  -0.04
    28   6    -0.00  -0.00   0.00    -0.16  -0.10   0.17    -0.04  -0.03   0.05
    29   7    -0.00   0.00  -0.00    -0.01   0.13  -0.07     0.00   0.03  -0.02
    30   1    -0.00  -0.01   0.00    -0.04  -0.18   0.06    -0.01  -0.03   0.02
    31   1     0.00   0.00  -0.00    -0.02   0.05   0.08    -0.00   0.02   0.02
    32   1     0.01  -0.01  -0.01     0.19  -0.20  -0.20     0.05  -0.06  -0.06
    33   1     0.01  -0.01  -0.01     0.37  -0.17  -0.21     0.11  -0.05  -0.06
    34   1    -0.01  -0.00   0.00    -0.38  -0.15   0.21    -0.11  -0.04   0.06
    35   1    -0.00  -0.00   0.00    -0.20  -0.20   0.20    -0.06  -0.06   0.06
    36   1    -0.00  -0.00  -0.00     0.03  -0.18  -0.06     0.01  -0.03  -0.02
    37   1     0.00  -0.00  -0.01     0.02   0.05  -0.08     0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1111.6532              1118.8637              1119.3578
 Red. masses --      1.0209                 1.0281                 1.0262
 Frc consts  --      0.7433                 0.7583                 0.7576
 IR Inten    --      0.4538                 0.5040                 0.1639
 RamAct Fr= 1--      0.3973                 0.6213                 0.8276
  Dep-P Fr= 1--      0.7476                 0.7460                 0.7484
  Dep-U Fr= 1--      0.8556                 0.8545                 0.8561
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0567                 0.0885                 0.1181
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--     -0.2527                 0.1712                -0.8418
 Delta2 Fr= 1--     -0.0810                -0.0271                -0.3141
 Raman1 Fr= 1--       1.589                  2.485                  3.310
 ROA1   Fr= 1--     -26.853                 15.570                -90.866
 CID1   Fr= 1--     -16.897                  6.265                -27.449
 Raman2 Fr= 1--       0.680                  1.062                  1.417
 ROA2   Fr= 1--      -5.417                  4.326                -17.691
 CID2   Fr= 1--      -7.968                  4.074                -12.485
 Raman3 Fr= 1--       1.360                  2.124                  2.834
 ROA3   Fr= 1--     -26.853                 15.570                -90.866
 CID3   Fr= 1--     -19.749                  7.332                -32.063
 RC180  Fr= 1--       0.711                  0.709                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     3   7    -0.01  -0.00  -0.01     0.00   0.01  -0.01    -0.01  -0.00  -0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.01     0.01  -0.00   0.00     0.01   0.00   0.01
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     8   7     0.00  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.01   0.01
     9   7     0.00   0.01  -0.01    -0.01  -0.00  -0.01     0.01   0.01  -0.01
    10   7     0.00  -0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    12   1     0.04  -0.10  -0.07    -0.04   0.11   0.10    -0.03   0.07   0.05
    13   1    -0.08   0.15   0.17     0.08  -0.16  -0.18     0.08  -0.13  -0.14
    14   1    -0.10  -0.01  -0.09     0.10   0.01   0.10     0.09   0.01   0.06
    15   1     0.17  -0.00   0.18    -0.17  -0.00  -0.18    -0.15   0.01  -0.14
    16   1    -0.10   0.02  -0.08     0.01  -0.00   0.02    -0.14   0.02  -0.12
    17   1     0.16  -0.00   0.17    -0.02   0.01  -0.03     0.22  -0.00   0.24
    18   1     0.04   0.10  -0.07    -0.01  -0.03   0.04     0.05   0.13  -0.11
    19   1    -0.09  -0.14   0.16     0.01   0.03  -0.03    -0.13  -0.20   0.23
    20   1    -0.22  -0.16  -0.00     0.05   0.03   0.02    -0.31  -0.21  -0.01
    21   1     0.09   0.14   0.01     0.02   0.01  -0.00     0.11   0.17   0.00
    22   1     0.25   0.10   0.01    -0.05  -0.02   0.01     0.35   0.15   0.00
    23   1    -0.15   0.01  -0.01    -0.01  -0.02   0.00    -0.21  -0.02   0.00
    24   1     0.25  -0.12   0.01    -0.26   0.13   0.01    -0.21   0.10  -0.01
    25   1    -0.16  -0.00  -0.00     0.14  -0.01  -0.00     0.16  -0.04  -0.00
    26   1    -0.23   0.17  -0.00     0.24  -0.18   0.02     0.18  -0.14  -0.01
    27   1     0.09  -0.14   0.00    -0.05   0.11  -0.00    -0.09   0.13  -0.00
    28   6    -0.00   0.00  -0.00    -0.00   0.01   0.00    -0.00  -0.00  -0.00
    29   7     0.00   0.01  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
    30   1    -0.03  -0.12  -0.05    -0.03  -0.16  -0.09     0.02   0.09   0.04
    31   1     0.02   0.26   0.02     0.01   0.36   0.04    -0.00  -0.13  -0.01
    32   1    -0.12   0.14   0.12    -0.17   0.19   0.18     0.07  -0.08  -0.07
    33   1     0.06  -0.08  -0.08     0.06  -0.12  -0.13    -0.02   0.03   0.03
    34   1     0.06   0.07  -0.08     0.06   0.11  -0.12    -0.03  -0.05   0.06
    35   1    -0.12  -0.13   0.12    -0.18  -0.19   0.18     0.06   0.07  -0.07
    36   1    -0.02   0.12  -0.05    -0.03   0.18  -0.09     0.01  -0.05   0.03
    37   1     0.01  -0.26   0.02    -0.00  -0.35   0.03     0.00   0.15  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1170.6366              1172.2226              1189.7807
 Red. masses --      1.0742                 1.0712                 1.0612
 Frc consts  --      0.8674                 0.8672                 0.8851
 IR Inten    --     73.7737                68.4862                 0.8745
 RamAct Fr= 1--      9.7102                 9.1056                 8.7153
  Dep-P Fr= 1--      0.7356                 0.7499                 0.2702
  Dep-U Fr= 1--      0.8477                 0.8571                 0.4254
 Alpha2 Fr= 1--      0.0024                 0.0000                 0.0976
 Beta2  Fr= 1--      1.3718                 1.3007                 0.6179
 AlphaG Fr= 1--      0.0334                 0.0001                 0.0046
 Gamma2 Fr= 1--     -2.9928                 1.9231                 0.1787
 Delta2 Fr= 1--      3.2613                 5.5237                -5.2067
 Raman1 Fr= 1--      38.841                 36.422                 34.861
 ROA1   Fr= 1--    -182.945                361.372               -149.457
 CID1   Fr= 1--      -4.710                  9.922                 -4.287
 Raman2 Fr= 1--      16.462                 15.608                  7.415
 ROA2   Fr= 1--     -97.917                  1.964                 45.944
 CID2   Fr= 1--      -5.948                  0.126                  6.196
 Raman3 Fr= 1--      32.924                 31.216                 14.830
 ROA3   Fr= 1--    -182.945                361.372               -149.457
 CID3   Fr= 1--      -5.557                 11.576                -10.078
 RC180  Fr= 1--       0.695                  0.714                 -0.149
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   7    -0.01  -0.00   0.01    -0.03  -0.01   0.02    -0.03  -0.00   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.01  -0.01  -0.01    -0.03   0.01   0.01     0.03  -0.01  -0.01
     6   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.01
     8   7     0.01  -0.01   0.01    -0.02   0.02  -0.02     0.02  -0.02   0.01
     9   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.02    -0.02  -0.02  -0.01
    10   7    -0.02  -0.04   0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
    12   1     0.04  -0.10  -0.12    -0.08   0.18   0.21     0.07  -0.18  -0.18
    13   1    -0.01   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1     0.09   0.00   0.10    -0.20  -0.02  -0.21     0.19   0.02   0.19
    15   1    -0.01   0.01   0.00     0.02  -0.00   0.01    -0.02   0.00  -0.02
    16   1    -0.08   0.00  -0.09    -0.20   0.02  -0.22    -0.19   0.03  -0.19
    17   1     0.01   0.01  -0.01     0.01   0.00   0.01     0.02   0.00   0.02
    18   1    -0.04  -0.09   0.11    -0.09  -0.18   0.22    -0.08  -0.17   0.18
    19   1     0.01   0.02  -0.02     0.02   0.02  -0.02     0.01   0.01  -0.01
    20   1     0.10   0.06   0.05     0.17   0.09   0.10     0.14   0.07   0.07
    21   1     0.16   0.09   0.02     0.28   0.17   0.04     0.25   0.16   0.04
    22   1     0.05   0.03  -0.04     0.17   0.09  -0.09     0.15   0.08  -0.07
    23   1     0.12   0.05  -0.01     0.31   0.17  -0.04     0.26   0.13  -0.03
    24   1    -0.06   0.04   0.04     0.17  -0.10  -0.09    -0.15   0.09   0.07
    25   1    -0.13   0.07   0.01     0.30  -0.18  -0.04    -0.26   0.14   0.03
    26   1    -0.10   0.06  -0.05     0.15  -0.09   0.10    -0.13   0.08  -0.07
    27   1    -0.17   0.11  -0.02     0.27  -0.18   0.04    -0.24   0.17  -0.04
    28   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    29   7     0.02  -0.04  -0.00    -0.00   0.00   0.00    -0.01   0.02  -0.01
    30   1     0.05   0.43  -0.01     0.00   0.03  -0.01    -0.03  -0.23  -0.01
    31   1     0.11   0.23  -0.04     0.00  -0.00   0.00    -0.05  -0.10   0.03
    32   1    -0.01   0.02   0.01     0.01  -0.02  -0.01    -0.01  -0.03  -0.01
    33   1     0.19  -0.20  -0.22    -0.00   0.00  -0.00    -0.09   0.13   0.14
    34   1    -0.20  -0.20   0.22    -0.01  -0.01   0.01     0.10   0.13  -0.14
    35   1     0.01   0.02  -0.01     0.01   0.02  -0.01     0.00  -0.03   0.01
    36   1    -0.03   0.43   0.01    -0.00  -0.01  -0.01     0.02  -0.24   0.01
    37   1    -0.10   0.23   0.04    -0.00   0.01   0.00     0.05  -0.10  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1223.4618              1226.3144              1244.7594
 Red. masses --      1.2544                 1.2485                 1.2398
 Frc consts  --      1.1063                 1.1062                 1.1318
 IR Inten    --      6.1565                 0.1951                32.6750
 RamAct Fr= 1--      5.9803                 6.9178                 1.0169
  Dep-P Fr= 1--      0.7498                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8570                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.8542                 0.9879                 0.1453
 AlphaG Fr= 1--     -0.0001                 0.0001                 0.0000
 Gamma2 Fr= 1--      1.2116                -4.2725                -0.3398
 Delta2 Fr= 1--      0.1867                -0.3740                -0.0548
 Raman1 Fr= 1--      23.921                 27.671                  4.068
 ROA1   Fr= 1--     122.290               -422.129                -34.375
 CID1   Fr= 1--       5.112                -15.255                 -8.451
 Raman2 Fr= 1--      10.251                 11.855                  1.743
 ROA2   Fr= 1--      27.585                -99.548                 -7.717
 CID2   Fr= 1--       2.691                 -8.397                 -4.427
 Raman3 Fr= 1--      20.501                 23.710                  3.486
 ROA3   Fr= 1--     122.290               -422.129                -34.375
 CID3   Fr= 1--       5.965                -17.804                 -9.860
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.01    -0.03  -0.02  -0.02    -0.03  -0.01  -0.01
     2   6     0.01   0.01  -0.01     0.03   0.02  -0.02     0.03   0.02  -0.01
     3   7    -0.02  -0.01   0.02    -0.04  -0.02   0.03    -0.04  -0.02   0.02
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.02   0.01   0.02     0.04  -0.02  -0.03    -0.03   0.02   0.02
     6   6     0.01  -0.01  -0.01    -0.03   0.02   0.02     0.03  -0.02  -0.01
     7   6    -0.02   0.01  -0.01     0.03  -0.02   0.02    -0.03   0.01  -0.01
     8   7     0.02  -0.01   0.02    -0.04   0.03  -0.03     0.04  -0.02   0.02
     9   7     0.02   0.01   0.01     0.04   0.02   0.03     0.04   0.02   0.02
    10   7     0.04   0.06  -0.01    -0.00   0.00  -0.01    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01     0.00  -0.00   0.01     0.01   0.02   0.00
    12   1     0.00  -0.02  -0.07    -0.01   0.02   0.13     0.01  -0.03  -0.11
    13   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.00     0.02  -0.01  -0.01
    14   1    -0.00   0.00  -0.08     0.05   0.01   0.15    -0.01  -0.01  -0.08
    15   1     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.03   0.02  -0.03
    16   1    -0.00  -0.00  -0.07    -0.05   0.01  -0.15    -0.01   0.01  -0.08
    17   1     0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.01  -0.02
    18   1     0.00   0.02  -0.06     0.01   0.02  -0.13     0.01   0.03  -0.11
    19   1     0.01   0.01  -0.02     0.01  -0.01   0.00     0.02   0.01  -0.01
    20   1    -0.06  -0.03  -0.05    -0.16  -0.08  -0.14    -0.11  -0.06  -0.09
    21   1    -0.16  -0.12  -0.02    -0.33  -0.22  -0.03    -0.33  -0.20  -0.04
    22   1     0.08   0.05  -0.08     0.16   0.09  -0.13     0.12   0.06  -0.08
    23   1     0.18   0.09  -0.01     0.40   0.17  -0.03     0.33   0.17  -0.03
    24   1     0.09  -0.06  -0.08    -0.15   0.10   0.13     0.11  -0.07  -0.08
    25   1     0.20  -0.11  -0.01    -0.38   0.18   0.03     0.32  -0.18  -0.03
    26   1    -0.07   0.04  -0.06     0.15  -0.08   0.14    -0.11   0.06  -0.09
    27   1    -0.17   0.14  -0.02     0.32  -0.23   0.03    -0.32   0.21  -0.04
    28   6    -0.02   0.05   0.01    -0.01   0.00  -0.01     0.01  -0.03   0.00
    29   7     0.03  -0.06  -0.01     0.01  -0.00   0.01    -0.02   0.03  -0.00
    30   1    -0.06  -0.53  -0.01     0.01   0.03   0.02     0.03   0.28   0.02
    31   1    -0.13  -0.18   0.06    -0.00  -0.01  -0.01     0.09   0.13  -0.05
    32   1    -0.02   0.04   0.01     0.02   0.02  -0.00    -0.02   0.05   0.05
    33   1    -0.13   0.01   0.07     0.00  -0.04  -0.04     0.10  -0.05  -0.08
    34   1    -0.13  -0.01   0.07    -0.01  -0.04   0.04     0.11   0.04  -0.08
    35   1    -0.02  -0.04   0.01    -0.02   0.01   0.00    -0.03  -0.05   0.05
    36   1    -0.04   0.53  -0.01    -0.01   0.05  -0.03     0.02  -0.28   0.02
    37   1    -0.12   0.19   0.06    -0.01  -0.00   0.01     0.08  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2906              1292.6053              1297.3038
 Red. masses --      1.4046                 1.3948                 1.3712
 Frc consts  --      1.3820                 1.3731                 1.3596
 IR Inten    --      0.4428                 0.0353                 1.3624
 RamAct Fr= 1--      2.2881                 5.4753                 1.8395
  Dep-P Fr= 1--      0.5648                 0.0533                 0.6300
  Dep-U Fr= 1--      0.7219                 0.1011                 0.7730
 Alpha2 Fr= 1--      0.0080                 0.1073                 0.0040
 Beta2  Fr= 1--      0.2753                 0.0923                 0.2370
 AlphaG Fr= 1--      0.0006                -0.0094                 0.0134
 Gamma2 Fr= 1--      0.8875                -1.0420                 1.0484
 Delta2 Fr= 1--      0.2039                -1.1443                 1.1387
 Raman1 Fr= 1--       9.152                 21.901                  7.358
 ROA1   Fr= 1--      91.725               -136.652                137.085
 CID1   Fr= 1--      10.022                 -6.240                 18.631
 Raman2 Fr= 1--       3.304                  1.108                  2.844
 ROA2   Fr= 1--      19.669                -15.854                 16.051
 CID2   Fr= 1--       5.954                -14.314                  5.644
 Raman3 Fr= 1--       6.607                  2.215                  5.688
 ROA3   Fr= 1--      91.725               -136.652                137.085
 CID3   Fr= 1--      13.883                -61.687                 24.101
 RC180  Fr= 1--       0.444                 -0.798                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.02    -0.04   0.06   0.03     0.03  -0.05  -0.02
     2   6    -0.03   0.06   0.02     0.03  -0.07  -0.04    -0.02   0.06   0.02
     3   7    -0.00  -0.03  -0.01    -0.00   0.02   0.02    -0.01  -0.02  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00   0.03  -0.02     0.00   0.01  -0.01     0.00  -0.02   0.01
     6   6    -0.05  -0.08   0.04    -0.02  -0.03   0.02     0.02   0.05  -0.02
     7   6     0.05   0.08  -0.04     0.02   0.03  -0.02    -0.03  -0.05   0.02
     8   7    -0.03  -0.01   0.02    -0.01  -0.00   0.01     0.02   0.01  -0.01
     9   7    -0.02   0.01   0.01     0.02  -0.01  -0.02    -0.02   0.01   0.01
    10   7     0.00  -0.01   0.00     0.03  -0.02   0.02     0.02  -0.01   0.01
    11   6    -0.01   0.00  -0.01    -0.06   0.01  -0.06    -0.06   0.00  -0.06
    12   1     0.02  -0.08   0.09    -0.01   0.02   0.06    -0.02   0.06  -0.01
    13   1    -0.05  -0.03  -0.32    -0.02  -0.03  -0.14     0.04  -0.00   0.17
    14   1     0.09   0.02  -0.08    -0.01   0.01  -0.06    -0.06  -0.01   0.03
    15   1    -0.02   0.07   0.31     0.02   0.02   0.13     0.01  -0.04  -0.17
    16   1     0.07  -0.01  -0.03    -0.04   0.01   0.09     0.07  -0.01  -0.03
    17   1    -0.03  -0.04   0.19    -0.00   0.05  -0.26    -0.02  -0.04   0.19
    18   1     0.02   0.07   0.05     0.00  -0.02  -0.10     0.03   0.07   0.02
    19   1    -0.03   0.02  -0.20     0.03  -0.04   0.27    -0.04   0.00  -0.19
    20   1     0.20   0.17  -0.02    -0.23  -0.19   0.02     0.18   0.16  -0.03
    21   1    -0.08  -0.14   0.01     0.08   0.16  -0.01    -0.11  -0.16   0.00
    22   1     0.25   0.08   0.03    -0.27  -0.08  -0.04     0.25   0.08   0.02
    23   1    -0.17   0.01  -0.01     0.21   0.01   0.01    -0.14   0.01  -0.01
    24   1     0.36  -0.13   0.05     0.11  -0.04   0.02    -0.23   0.09  -0.01
    25   1    -0.26   0.00  -0.02    -0.10   0.02  -0.00     0.13   0.00   0.01
    26   1     0.28  -0.26  -0.03     0.10  -0.08  -0.00    -0.16   0.15   0.02
    27   1    -0.11   0.22   0.01    -0.03   0.07   0.01     0.10  -0.16  -0.00
    28   6     0.01  -0.00   0.01     0.06   0.01   0.06     0.06   0.00   0.06
    29   7    -0.01  -0.00  -0.00    -0.03  -0.02  -0.02    -0.02  -0.01  -0.01
    30   1    -0.01  -0.02  -0.03    -0.03  -0.16  -0.11    -0.03  -0.17  -0.10
    31   1     0.00   0.08   0.02     0.00   0.33   0.07     0.00   0.30   0.06
    32   1    -0.06  -0.02   0.03    -0.23  -0.04   0.12    -0.25   0.00   0.15
    33   1     0.01   0.00  -0.01     0.08   0.04   0.01     0.09   0.02  -0.00
    34   1    -0.02   0.02  -0.01    -0.07   0.04  -0.00    -0.09   0.03   0.00
    35   1     0.05  -0.01  -0.02     0.23  -0.06  -0.13     0.25  -0.01  -0.15
    36   1     0.01  -0.05   0.02     0.02  -0.15   0.11     0.02  -0.18   0.10
    37   1     0.00   0.07  -0.02     0.01   0.33  -0.07     0.01   0.30  -0.06
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.4597              1333.7213              1340.3173
 Red. masses --      1.1857                 1.1927                 1.1701
 Frc consts  --      1.2385                 1.2500                 1.2384
 IR Inten    --     24.5007                27.3947                 0.0260
 RamAct Fr= 1--      3.3820                 3.2894                 2.5389
  Dep-P Fr= 1--      0.7499                 0.7488                 0.2582
  Dep-U Fr= 1--      0.8571                 0.8563                 0.4104
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0294
 Beta2  Fr= 1--      0.4831                 0.4695                 0.1737
 AlphaG Fr= 1--      0.0001                 0.0034                 0.0263
 Gamma2 Fr= 1--     -5.3212                 3.3684                -2.5822
 Delta2 Fr= 1--     -5.5449                 1.7357                -2.0386
 Raman1 Fr= 1--      13.528                 13.158                 10.155
 ROA1   Fr= 1--    -688.272                378.906               -313.129
 CID1   Fr= 1--     -50.878                 28.797                -30.834
 Raman2 Fr= 1--       5.797                  5.634                  2.084
 ROA2   Fr= 1--     -83.349                 66.954                -45.665
 CID2   Fr= 1--     -14.378                 11.885                -21.911
 Raman3 Fr= 1--      11.594                 11.267                  4.168
 ROA3   Fr= 1--    -688.272                378.906               -313.129
 CID3   Fr= 1--     -59.363                 33.629                -75.125
 RC180  Fr= 1--       0.714                  0.713                 -0.179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.04     0.01  -0.01   0.02    -0.01   0.01  -0.03
     2   6     0.00   0.01  -0.04    -0.00   0.01  -0.02    -0.01  -0.00   0.02
     3   7    -0.02  -0.04   0.01    -0.01  -0.03   0.01     0.02   0.02  -0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.02   0.04   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   6     0.00  -0.01  -0.04     0.00   0.01   0.02     0.01  -0.00  -0.02
     7   6     0.01   0.00   0.04    -0.01  -0.01  -0.02     0.01   0.01   0.03
     8   7    -0.04  -0.00  -0.02     0.02   0.00   0.00    -0.04  -0.00  -0.01
     9   7    -0.04   0.00  -0.02    -0.02   0.00  -0.01     0.04  -0.00   0.01
    10   7     0.00  -0.00   0.00    -0.01  -0.04   0.03     0.00  -0.03   0.02
    11   6    -0.00  -0.00  -0.00     0.04   0.01  -0.02     0.02   0.01  -0.02
    12   1     0.10  -0.25  -0.19    -0.06   0.14   0.12     0.10  -0.22  -0.19
    13   1    -0.07   0.15   0.22     0.05  -0.08  -0.09    -0.09   0.17   0.19
    14   1     0.28   0.02   0.23    -0.15  -0.01  -0.10     0.14   0.01   0.10
    15   1    -0.18  -0.01  -0.23     0.08   0.00   0.10    -0.10  -0.01  -0.16
    16   1     0.27  -0.03   0.22     0.18  -0.02   0.12    -0.16   0.02  -0.12
    17   1    -0.17   0.01  -0.22    -0.10   0.01  -0.12     0.12  -0.01   0.17
    18   1     0.10   0.23  -0.17     0.07   0.14  -0.12    -0.10  -0.20   0.17
    19   1    -0.07  -0.14   0.20    -0.05  -0.09   0.10     0.09   0.16  -0.19
    20   1     0.13   0.11   0.06     0.10   0.08   0.02    -0.16  -0.13  -0.05
    21   1     0.13   0.05   0.02     0.05   0.00   0.01    -0.13  -0.03  -0.02
    22   1     0.18   0.06  -0.05     0.14   0.05  -0.04    -0.13  -0.05   0.03
    23   1     0.08   0.09  -0.02     0.06   0.05  -0.01    -0.10  -0.06   0.01
    24   1     0.19  -0.07  -0.06    -0.12   0.05   0.03     0.11  -0.05  -0.03
    25   1     0.08  -0.10  -0.02    -0.05   0.05   0.01     0.11  -0.06  -0.01
    26   1     0.14  -0.12   0.07    -0.09   0.08  -0.02     0.17  -0.15   0.05
    27   1     0.14  -0.05   0.02    -0.04  -0.00  -0.01     0.13  -0.03   0.02
    28   6     0.00   0.00  -0.00    -0.04   0.01   0.02    -0.02   0.01   0.02
    29   7     0.00   0.00   0.00     0.01  -0.04  -0.03    -0.00  -0.03  -0.02
    30   1    -0.00  -0.01  -0.01     0.01   0.16  -0.04     0.00   0.09  -0.04
    31   1    -0.01   0.02   0.01     0.08   0.21   0.01     0.05   0.22   0.02
    32   1    -0.01  -0.02  -0.00     0.20  -0.16  -0.19     0.09  -0.13  -0.11
    33   1    -0.02   0.01   0.01    -0.15   0.26   0.26    -0.09   0.17   0.16
    34   1    -0.03  -0.02   0.02     0.16   0.25  -0.25     0.10   0.17  -0.16
    35   1     0.01   0.03  -0.01    -0.20  -0.15   0.19    -0.10  -0.13   0.11
    36   1    -0.00   0.00  -0.01    -0.00   0.16   0.04    -0.00   0.09   0.04
    37   1    -0.00  -0.03   0.01    -0.07   0.21  -0.01    -0.04   0.22  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.5049              1348.6581              1350.4537
 Red. masses --      1.1947                 1.1898                 1.1935
 Frc consts  --      1.2781                 1.2751                 1.2824
 IR Inten    --      8.2756                 1.8523                 9.5788
 RamAct Fr= 1--      3.4505                11.1974                 8.9653
  Dep-P Fr= 1--      0.7492                 0.7482                 0.7499
  Dep-U Fr= 1--      0.8566                 0.8559                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0000
 Beta2  Fr= 1--      0.4926                 1.5974                 1.2806
 AlphaG Fr= 1--      0.0001                 0.0009                -0.0000
 Gamma2 Fr= 1--      3.4725                12.8349                -6.5419
 Delta2 Fr= 1--      0.7269                 3.1685                -0.5248
 Raman1 Fr= 1--      13.802                 44.790                 35.861
 ROA1   Fr= 1--     356.621               1333.544               -644.817
 CID1   Fr= 1--      25.838                 29.774                -17.981
 Raman2 Fr= 1--       5.912                 19.169                 15.368
 ROA2   Fr= 1--      77.524                282.691               -152.808
 CID2   Fr= 1--      13.114                 14.748                 -9.943
 Raman3 Fr= 1--      11.823                 38.337                 30.735
 ROA3   Fr= 1--     356.621               1333.544               -644.817
 CID3   Fr= 1--      30.163                 34.785                -20.980
 RC180  Fr= 1--       0.713                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.01    -0.00   0.05  -0.00     0.00   0.01  -0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.03  -0.01    -0.01   0.00  -0.00
     3   7    -0.00  -0.04  -0.00    -0.01  -0.05  -0.00     0.00  -0.01  -0.00
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.04  -0.00     0.01  -0.04   0.00     0.00   0.01  -0.00
     6   6    -0.04  -0.03  -0.01     0.03   0.03   0.01    -0.01  -0.00  -0.00
     7   6    -0.01  -0.05  -0.01     0.00   0.04   0.00     0.00  -0.01   0.00
     8   7     0.04   0.01  -0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     9   7     0.04  -0.02   0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.04
    11   6    -0.00  -0.01  -0.01    -0.00   0.00   0.00     0.01   0.03   0.06
    12   1    -0.11   0.23   0.26     0.09  -0.20  -0.20    -0.01   0.03   0.04
    13   1     0.11  -0.16  -0.06    -0.07   0.11   0.03     0.01  -0.01   0.01
    14   1     0.25   0.01   0.26    -0.27  -0.01  -0.27     0.05   0.00   0.06
    15   1    -0.18   0.02  -0.07     0.19  -0.02   0.10    -0.04   0.00  -0.03
    16   1     0.21  -0.01   0.23     0.28  -0.02   0.28     0.05  -0.00   0.06
    17   1    -0.15  -0.01  -0.05    -0.20  -0.01  -0.10    -0.04  -0.00  -0.02
    18   1    -0.13  -0.23   0.27    -0.11  -0.21   0.23    -0.02  -0.03   0.05
    19   1     0.12   0.15  -0.07     0.09   0.12  -0.04     0.01   0.01   0.01
    20   1    -0.21  -0.19  -0.02    -0.19  -0.17  -0.01    -0.01  -0.02   0.01
    21   1    -0.02   0.08  -0.01     0.00   0.09  -0.01     0.04   0.04   0.00
    22   1     0.21   0.06  -0.00     0.30   0.09  -0.01     0.05   0.01   0.00
    23   1    -0.08   0.04  -0.01    -0.05   0.05  -0.02    -0.03   0.00  -0.00
    24   1     0.25  -0.08  -0.01    -0.28   0.10   0.01     0.04  -0.01   0.00
    25   1    -0.08  -0.05  -0.02     0.04   0.05   0.02    -0.03  -0.00  -0.00
    26   1    -0.20   0.20  -0.02     0.16  -0.16   0.01    -0.01   0.01   0.01
    27   1    -0.01  -0.09  -0.01    -0.00   0.08   0.01     0.04  -0.04   0.01
    28   6    -0.00   0.01  -0.01     0.00   0.00  -0.01     0.00  -0.03   0.06
    29   7     0.00   0.01   0.01    -0.00   0.01   0.00    -0.02  -0.04  -0.04
    30   1    -0.00  -0.01  -0.02    -0.00  -0.02   0.01     0.02   0.03   0.11
    31   1     0.01   0.06   0.01    -0.01  -0.03   0.00    -0.05  -0.37  -0.07
    32   1     0.01  -0.03  -0.03    -0.02   0.00   0.02    -0.04   0.21   0.12
    33   1    -0.04   0.06   0.07     0.01  -0.03  -0.03     0.27  -0.30  -0.30
    34   1    -0.03  -0.05   0.06    -0.01  -0.04   0.04     0.28   0.29  -0.31
    35   1     0.01   0.02  -0.02     0.02   0.01  -0.02    -0.04  -0.21   0.12
    36   1    -0.00   0.02  -0.01    -0.00  -0.02  -0.01     0.02  -0.03   0.11
    37   1     0.01  -0.05   0.01     0.01  -0.04  -0.00    -0.04   0.38  -0.07
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.6482              1405.3722              1406.9164
 Red. masses --      1.2658                 1.2682                 1.2640
 Frc consts  --      1.4714                 1.4757                 1.4741
 IR Inten    --      0.5887                 1.1744                 1.3061
 RamAct Fr= 1--      0.7706                 2.0738                 1.4455
  Dep-P Fr= 1--      0.7500                 0.7492                 0.7498
  Dep-U Fr= 1--      0.8571                 0.8566                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1101                 0.2961                 0.2065
 AlphaG Fr= 1--     -0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--     -0.6880                -2.7087                 1.8538
 Delta2 Fr= 1--     -0.2670                -1.1445                 0.9138
 Raman1 Fr= 1--       3.082                  8.295                  5.782
 ROA1   Fr= 1--     -74.592               -296.663                207.207
 CID1   Fr= 1--     -24.200                -35.764                 35.836
 Raman2 Fr= 1--       1.321                  3.553                  2.478
 ROA2   Fr= 1--     -14.376                -55.854                 37.181
 CID2   Fr= 1--     -10.883                -15.720                 15.007
 Raman3 Fr= 1--       2.642                  7.106                  4.955
 ROA3   Fr= 1--     -74.592               -296.663                207.207
 CID3   Fr= 1--     -28.234                -41.749                 41.815
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.05     0.04   0.02  -0.06    -0.01  -0.01   0.02
     2   6    -0.03  -0.01  -0.05    -0.04  -0.02  -0.07     0.01   0.00   0.02
     3   7    -0.01   0.01   0.01    -0.01   0.01   0.02     0.01  -0.00  -0.01
     4  45    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.01   0.02     0.01   0.01  -0.02     0.01   0.00  -0.01
     6   6    -0.04   0.02  -0.06     0.03  -0.02   0.05     0.01  -0.01   0.02
     7   6     0.04  -0.03  -0.06    -0.03   0.02   0.05    -0.01   0.01   0.02
     8   7    -0.00  -0.02   0.02     0.00   0.01  -0.01    -0.00   0.01  -0.01
     9   7    -0.00   0.01   0.02    -0.00   0.02   0.02    -0.00  -0.01  -0.01
    10   7    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.01  -0.01
    11   6     0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.07  -0.06  -0.03
    12   1    -0.07   0.16   0.23     0.06  -0.12  -0.20     0.02  -0.05  -0.06
    13   1    -0.14   0.27   0.24     0.09  -0.21  -0.20     0.04  -0.07  -0.06
    14   1     0.16   0.00   0.25    -0.13  -0.00  -0.21    -0.05  -0.00  -0.07
    15   1     0.29   0.01   0.26    -0.25  -0.01  -0.23    -0.09   0.00  -0.08
    16   1     0.12  -0.01   0.19     0.17  -0.01   0.26    -0.06   0.01  -0.07
    17   1     0.22  -0.02   0.20     0.31  -0.03   0.29    -0.10   0.00  -0.09
    18   1    -0.06  -0.12   0.17    -0.08  -0.15   0.25     0.02   0.05  -0.06
    19   1    -0.12  -0.21   0.19    -0.13  -0.26   0.25     0.04   0.08  -0.06
    20   1     0.08   0.08  -0.02     0.10   0.10  -0.02    -0.02  -0.03   0.01
    21   1    -0.06  -0.08   0.01    -0.08  -0.10   0.01     0.04   0.04   0.00
    22   1    -0.09  -0.02  -0.02    -0.15  -0.04  -0.03     0.04   0.01   0.01
    23   1     0.10   0.01   0.01     0.13   0.02   0.01    -0.06  -0.01  -0.00
    24   1    -0.13   0.04  -0.03     0.12  -0.03   0.03     0.03  -0.01   0.01
    25   1     0.13  -0.02   0.01    -0.10   0.03  -0.01    -0.06   0.01  -0.00
    26   1     0.10  -0.11  -0.02    -0.07   0.08   0.02    -0.02   0.02   0.01
    27   1    -0.07   0.11   0.01     0.06  -0.08  -0.00     0.04  -0.04   0.00
    28   6     0.03   0.02  -0.01     0.00   0.00   0.00     0.07   0.05  -0.03
    29   7    -0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.01  -0.01
    30   1     0.00   0.05   0.02     0.00   0.02   0.00     0.02   0.15   0.07
    31   1     0.00  -0.06  -0.02     0.00  -0.02  -0.01     0.01  -0.18  -0.06
    32   1    -0.08   0.09   0.11    -0.02   0.04   0.03    -0.23   0.32   0.30
    33   1    -0.09   0.05   0.05    -0.01   0.02   0.02    -0.24   0.17   0.20
    34   1    -0.09  -0.05   0.06    -0.02   0.00  -0.00    -0.25  -0.16   0.20
    35   1    -0.09  -0.10   0.11    -0.01   0.01   0.01    -0.24  -0.31   0.31
    36   1     0.00  -0.05   0.02     0.00  -0.00   0.00     0.01  -0.15   0.07
    37   1     0.01   0.06  -0.02    -0.00   0.00   0.00     0.01   0.18  -0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1507              1444.8377              1445.3761
 Red. masses --      1.4462                 1.4516                 1.4413
 Frc consts  --      1.7746                 1.7853                 1.7740
 IR Inten    --      3.8377                 0.8426                 2.5602
 RamAct Fr= 1--      0.5687                 0.2838                 0.7217
  Dep-P Fr= 1--      0.7481                 0.7386                 0.7314
  Dep-U Fr= 1--      0.8559                 0.8496                 0.8448
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0002
 Beta2  Fr= 1--      0.0811                 0.0402                 0.1016
 AlphaG Fr= 1--     -0.0003                 0.0006                -0.0149
 Gamma2 Fr= 1--      1.0580                -1.1435                 0.3058
 Delta2 Fr= 1--      0.7067                -0.7765                 0.3960
 Raman1 Fr= 1--       2.275                  1.135                  2.887
 ROA1   Fr= 1--     124.184               -134.621                 42.032
 CID1   Fr= 1--      54.592               -118.576                 14.559
 Raman2 Fr= 1--       0.973                  0.482                  1.220
 ROA2   Fr= 1--      19.739                -21.231                  4.172
 CID2   Fr= 1--      20.276                -44.021                  3.421
 Raman3 Fr= 1--       1.947                  0.965                  2.439
 ROA3   Fr= 1--     124.184               -134.621                 42.032
 CID3   Fr= 1--      63.782               -139.561                 17.233
 RC180  Fr= 1--       0.712                  0.699                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.08     0.00   0.01  -0.03    -0.01  -0.03   0.09
     2   6    -0.03   0.01  -0.08     0.01  -0.00   0.04    -0.03   0.01  -0.09
     3   7    -0.01   0.01   0.02     0.00  -0.00  -0.01    -0.01   0.00   0.02
     4  45     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00   0.03    -0.00  -0.00   0.01     0.01   0.00  -0.02
     6   6    -0.03  -0.01  -0.10    -0.01  -0.00  -0.03     0.03   0.01   0.07
     7   6    -0.01   0.04   0.10     0.00   0.01   0.03     0.01  -0.03  -0.08
     8   7    -0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.01   0.02
     9   7    -0.00  -0.01  -0.02     0.00   0.00   0.01    -0.00  -0.01  -0.03
    10   7    -0.00  -0.00   0.00    -0.04  -0.01  -0.00    -0.01  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.10  -0.03  -0.07     0.04  -0.01  -0.02
    12   1     0.09  -0.09  -0.17     0.03  -0.04  -0.05    -0.07   0.10   0.14
    13   1     0.08  -0.28  -0.33     0.02  -0.07  -0.08    -0.08   0.24   0.26
    14   1     0.12  -0.04   0.18     0.02  -0.02   0.07    -0.10   0.02  -0.13
    15   1     0.27   0.06   0.34     0.07   0.04   0.12    -0.21  -0.04  -0.25
    16   1     0.10   0.03   0.15    -0.03  -0.03  -0.08     0.11   0.03   0.15
    17   1     0.23  -0.06   0.29    -0.08   0.04  -0.14     0.24  -0.06   0.29
    18   1     0.08   0.08  -0.15    -0.03  -0.04   0.06     0.09   0.11  -0.16
    19   1     0.08   0.24  -0.29    -0.03  -0.08   0.11     0.11   0.27  -0.31
    20   1    -0.05  -0.07   0.06    -0.00   0.01  -0.02    -0.06  -0.08   0.06
    21   1     0.11   0.08  -0.00    -0.04  -0.03   0.00     0.13   0.11  -0.00
    22   1    -0.08  -0.01  -0.05     0.03   0.00   0.02    -0.07  -0.01  -0.07
    23   1     0.12   0.04   0.01    -0.05  -0.02  -0.00     0.14   0.06   0.00
    24   1    -0.09   0.02  -0.06    -0.02   0.00  -0.02     0.06  -0.01   0.06
    25   1     0.14  -0.05   0.01     0.04  -0.02   0.00    -0.12   0.06  -0.00
    26   1    -0.06   0.08   0.07     0.01   0.00   0.02     0.05  -0.07  -0.05
    27   1     0.12  -0.10  -0.00     0.03  -0.03   0.00    -0.11   0.10   0.00
    28   6    -0.00   0.00   0.00    -0.10  -0.03   0.07    -0.04  -0.01   0.02
    29   7    -0.00   0.00  -0.00     0.03  -0.01   0.00     0.01  -0.00   0.00
    30   1     0.00   0.02  -0.00     0.01   0.20   0.03     0.00   0.06   0.02
    31   1     0.01  -0.01  -0.01     0.06  -0.11  -0.07     0.01  -0.06  -0.02
    32   1     0.00   0.02   0.00    -0.30   0.25   0.37    -0.12   0.09   0.15
    33   1     0.01   0.01   0.01    -0.19   0.16   0.11    -0.08   0.04   0.02
    34   1     0.01  -0.00   0.01     0.20   0.15  -0.11     0.08   0.04  -0.02
    35   1     0.00  -0.02  -0.00     0.31   0.24  -0.37     0.12   0.08  -0.15
    36   1    -0.00  -0.01  -0.00     0.00   0.20  -0.03    -0.00   0.05  -0.02
    37   1     0.00   0.01  -0.00    -0.06  -0.11   0.07    -0.01  -0.06   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8905              1503.4571              1503.9151
 Red. masses --      1.0801                 1.0800                 1.0826
 Frc consts  --      1.4374                 1.4384                 1.4427
 IR Inten    --     32.4558                25.4529                16.8824
 RamAct Fr= 1--      4.0957                 8.1800                 6.4166
  Dep-P Fr= 1--      0.6627                 0.5702                 0.3500
  Dep-U Fr= 1--      0.7971                 0.7263                 0.5185
 Alpha2 Fr= 1--      0.0064                 0.0278                 0.0563
 Beta2  Fr= 1--      0.5441                 0.9902                 0.5545
 AlphaG Fr= 1--      0.0010                 0.0552                 0.0460
 Gamma2 Fr= 1--     -0.7471                 0.2249                -0.4419
 Delta2 Fr= 1--     -1.0163                 0.4250                 0.6601
 Raman1 Fr= 1--      16.383                 32.720                 25.666
 ROA1   Fr= 1--    -104.245                 35.187                -21.294
 CID1   Fr= 1--      -6.363                  1.075                 -0.830
 Raman2 Fr= 1--       6.530                 11.882                  6.654
 ROA2   Fr= 1--      -9.800                  1.997                -15.885
 CID2   Fr= 1--      -1.501                  0.168                 -2.387
 Raman3 Fr= 1--      13.059                 23.764                 13.309
 ROA3   Fr= 1--    -104.245                 35.187                -21.294
 CID3   Fr= 1--      -7.983                  1.481                 -1.600
 RC180  Fr= 1--       0.594                  0.453                  0.037
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.03  -0.04  -0.05
     2   6    -0.01  -0.00   0.01     0.02  -0.00  -0.02     0.01  -0.00  -0.01
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.01   0.00  -0.02     0.01   0.00  -0.01
     7   6    -0.01   0.02  -0.02    -0.03   0.05  -0.05     0.00  -0.00   0.00
     8   7    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   7    -0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    11   6    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.01   0.02   0.01
    12   1    -0.05  -0.21   0.14    -0.12  -0.52   0.33     0.00   0.01  -0.01
    13   1     0.22  -0.04   0.11     0.54  -0.13   0.26    -0.01   0.01   0.00
    14   1     0.06   0.05  -0.05    -0.11  -0.08   0.08    -0.11  -0.08   0.09
    15   1     0.07  -0.06  -0.01    -0.05   0.11   0.09    -0.08   0.11   0.07
    16   1     0.06  -0.05  -0.05    -0.12   0.11   0.10    -0.08   0.06   0.06
    17   1     0.07   0.06  -0.02    -0.11  -0.13   0.08    -0.04  -0.08   0.08
    18   1    -0.01   0.07   0.05     0.00  -0.01  -0.01    -0.09   0.50   0.32
    19   1     0.07   0.01   0.04    -0.02  -0.01   0.00     0.52   0.09   0.26
    20   1     0.02   0.01   0.00    -0.01  -0.01   0.01     0.02   0.01  -0.01
    21   1     0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    22   1    -0.01  -0.01   0.01    -0.03  -0.01   0.01    -0.01  -0.00   0.02
    23   1     0.01  -0.01   0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
    24   1    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.03   0.01   0.01
    25   1     0.02   0.01   0.00     0.03   0.02   0.00     0.00   0.01   0.00
    26   1     0.03  -0.02  -0.00     0.00   0.00  -0.02    -0.01   0.01   0.00
    27   1     0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.01  -0.00
    28   6    -0.03   0.02  -0.00     0.02  -0.01   0.00    -0.02   0.02  -0.01
    29   7    -0.00   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00   0.01  -0.01     0.00  -0.00   0.01    -0.01  -0.02  -0.02
    31   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    32   1     0.16   0.46  -0.22    -0.04  -0.09   0.05    -0.03  -0.19   0.05
    33   1     0.42   0.15   0.32    -0.09  -0.03  -0.06    -0.15  -0.05  -0.11
    34   1     0.25  -0.11   0.19    -0.15   0.06  -0.12     0.19  -0.07   0.14
    35   1     0.11  -0.27  -0.16    -0.05   0.17   0.08     0.04  -0.23  -0.08
    36   1    -0.01   0.00  -0.02    -0.00   0.01   0.00     0.00  -0.01   0.02
    37   1     0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.1808              1504.5459              1504.6550
 Red. masses --      1.0781                 1.0812                 1.0803
 Frc consts  --      1.4372                 1.4420                 1.4410
 IR Inten    --     17.4289                 4.2720                 4.0652
 RamAct Fr= 1--      5.3536                 5.5502                 8.9425
  Dep-P Fr= 1--      0.4797                 0.7281                 0.6196
  Dep-U Fr= 1--      0.6484                 0.8426                 0.7651
 Alpha2 Fr= 1--      0.0290                 0.0021                 0.0213
 Beta2  Fr= 1--      0.5785                 0.7795                 1.1403
 AlphaG Fr= 1--     -0.0388                 0.0264                 0.0590
 Gamma2 Fr= 1--     -3.5788                 3.0814                -1.9271
 Delta2 Fr= 1--     -1.9396                 1.6862                -0.2935
 Raman1 Fr= 1--      21.414                 22.201                 35.770
 ROA1   Fr= 1--    -405.630                349.774               -194.396
 CID1   Fr= 1--     -18.942                 15.755                 -5.435
 Raman2 Fr= 1--       6.943                  9.354                 13.684
 ROA2   Fr= 1--     -70.374                 60.464                -43.903
 CID2   Fr= 1--     -10.137                  6.464                 -3.208
 Raman3 Fr= 1--      13.885                 18.707                 27.367
 ROA3   Fr= 1--    -405.630                349.774               -194.396
 CID3   Fr= 1--     -29.213                 18.697                 -7.103
 RC180  Fr= 1--       0.297                  0.685                  0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.02  -0.02  -0.01     0.01   0.01   0.01
     2   6     0.04   0.00  -0.03    -0.04  -0.00   0.03    -0.01   0.00   0.01
     3   7     0.01   0.00  -0.00    -0.01   0.00   0.00    -0.00  -0.00   0.00
     4  45    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     6   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.06  -0.00  -0.04
     7   6     0.01  -0.01   0.01    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    10   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.01   0.00
    12   1     0.04   0.15  -0.10    -0.01  -0.03   0.02     0.02   0.06  -0.04
    13   1    -0.17   0.06  -0.06     0.03  -0.00   0.02    -0.09   0.06   0.02
    14   1    -0.04  -0.03   0.03    -0.01  -0.01   0.01    -0.45  -0.35   0.34
    15   1    -0.04   0.04   0.01     0.00   0.01   0.01    -0.41   0.46   0.22
    16   1    -0.29   0.25   0.23     0.31  -0.27  -0.24     0.08  -0.06  -0.06
    17   1    -0.28  -0.30   0.16     0.32   0.32  -0.15     0.06   0.08  -0.05
    18   1    -0.02   0.13   0.08    -0.05   0.24   0.15     0.02  -0.12  -0.08
    19   1     0.13   0.01   0.09     0.28   0.10   0.07    -0.13  -0.02  -0.06
    20   1    -0.01  -0.01   0.00    -0.03  -0.02  -0.03     0.00   0.00   0.00
    21   1     0.00  -0.02   0.00    -0.00   0.05  -0.01    -0.00   0.00   0.00
    22   1     0.01   0.00  -0.01    -0.00   0.00   0.03     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.03  -0.02   0.01    -0.01   0.01  -0.00
    24   1    -0.01   0.00  -0.01    -0.01   0.01   0.01     0.01  -0.00  -0.03
    25   1    -0.01  -0.01  -0.00     0.01   0.01   0.00    -0.03  -0.02  -0.01
    26   1     0.02  -0.01   0.02     0.00  -0.00   0.00     0.01  -0.01   0.03
    27   1     0.00   0.02   0.00     0.00   0.00   0.00     0.01   0.05   0.01
    28   6     0.02  -0.03   0.01     0.03  -0.03   0.01    -0.00   0.01  -0.00
    29   7     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    30   1     0.01   0.02   0.03     0.01   0.01   0.03    -0.01  -0.04  -0.01
    31   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01     0.00   0.00  -0.00
    32   1     0.07   0.33  -0.10     0.01   0.11  -0.01     0.04   0.09  -0.06
    33   1     0.27   0.10   0.21     0.08   0.02   0.06     0.09   0.02   0.06
    34   1    -0.25   0.10  -0.19    -0.31   0.12  -0.23     0.04  -0.03   0.04
    35   1    -0.05   0.32   0.09    -0.09   0.37   0.15     0.02  -0.06  -0.02
    36   1    -0.01   0.04  -0.04     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    37   1     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1639.9358              1656.5006              1656.6707
 Red. masses --      1.0767                 1.0790                 1.0792
 Frc consts  --      1.7061                 1.7444                 1.7451
 IR Inten    --    124.8045                38.2782                17.6612
 RamAct Fr= 1--      0.2340                 4.3089                 7.9025
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0334                 0.6156                 1.1289
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0882                 2.0604                 5.3293
 Delta2 Fr= 1--      0.1024                 3.4376                 6.0282
 Raman1 Fr= 1--       0.936                 17.236                 31.610
 ROA1   Fr= 1--      11.743                307.803                704.518
 CID1   Fr= 1--      12.546                 17.858                 22.288
 Raman2 Fr= 1--       0.401                  7.387                 13.547
 ROA2   Fr= 1--       1.297                 21.949                 79.678
 CID2   Fr= 1--       3.232                  2.971                  5.882
 Raman3 Fr= 1--       0.802                 14.774                 27.094
 ROA3   Fr= 1--      11.743                307.803                704.518
 CID3   Fr= 1--      14.637                 20.835                 26.003
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.00   0.00   0.01
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     3   7    -0.02   0.01  -0.02     0.01  -0.01   0.01    -0.02   0.02  -0.02
     4  45    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.03  -0.02  -0.03
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     7   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     8   7    -0.00  -0.03  -0.02    -0.00  -0.04  -0.03     0.00   0.01   0.01
     9   7    -0.00   0.02  -0.02     0.00  -0.03   0.02     0.00  -0.02   0.01
    10   7     0.01  -0.01  -0.03     0.01  -0.01  -0.03    -0.00   0.01   0.01
    11   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.01   0.02   0.00    -0.02   0.00   0.02     0.01   0.02  -0.03
    13   1    -0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.00  -0.01
    14   1     0.01  -0.00   0.00     0.01   0.01  -0.02     0.01  -0.02   0.02
    15   1    -0.01  -0.00  -0.00     0.01  -0.01  -0.01    -0.02   0.02   0.00
    16   1     0.01   0.00   0.00    -0.01   0.00   0.01     0.01   0.02   0.02
    17   1    -0.01   0.00  -0.00     0.00  -0.01   0.01    -0.02  -0.01  -0.00
    18   1    -0.01  -0.02   0.00     0.01   0.01  -0.01     0.02  -0.01  -0.03
    19   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.00  -0.01
    20   1    -0.06  -0.09   0.29     0.08   0.12  -0.36     0.04   0.06  -0.21
    21   1     0.13  -0.28   0.02    -0.15   0.36  -0.02    -0.09   0.21  -0.01
    22   1     0.08   0.01   0.23    -0.05  -0.00  -0.13     0.13   0.01   0.35
    23   1     0.13  -0.20   0.02    -0.09   0.10  -0.01     0.22  -0.31   0.04
    24   1     0.09  -0.01   0.24    -0.01   0.00  -0.03     0.15  -0.02   0.43
    25   1     0.14   0.20   0.02    -0.01  -0.03  -0.01     0.29   0.37   0.04
    26   1    -0.05   0.10   0.29    -0.08   0.14   0.41     0.01  -0.02  -0.09
    27   1     0.14   0.28   0.02     0.19   0.41   0.03    -0.04  -0.09  -0.01
    28   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    30   1     0.09   0.03   0.29     0.08   0.04   0.26    -0.04  -0.02  -0.11
    31   1    -0.25   0.09   0.15    -0.23   0.08   0.14     0.09  -0.04  -0.06
    32   1     0.00  -0.00  -0.01    -0.01  -0.02   0.02    -0.00   0.00   0.01
    33   1     0.00   0.02   0.01    -0.03   0.01  -0.01    -0.01  -0.00  -0.00
    34   1     0.00  -0.01   0.01     0.03   0.01   0.01     0.01   0.01   0.00
    35   1     0.00   0.00  -0.01     0.01  -0.02  -0.02     0.00  -0.01   0.00
    36   1     0.09  -0.03   0.28    -0.06   0.03  -0.20    -0.07   0.04  -0.24
    37   1    -0.25  -0.08   0.15     0.18   0.05  -0.11     0.21   0.07  -0.12
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1658.5805              1668.9977              1671.3693
 Red. masses --      1.0784                 1.0770                 1.0763
 Frc consts  --      1.7478                 1.7676                 1.7714
 IR Inten    --      0.4562                29.4404                19.4499
 RamAct Fr= 1--      6.6243                 4.2134                 3.0175
  Dep-P Fr= 1--      0.7448                 0.7493                 0.7500
  Dep-U Fr= 1--      0.8538                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0000
 Beta2  Fr= 1--      0.9426                 0.6016                 0.4311
 AlphaG Fr= 1--     -0.0106                -0.0004                -0.0000
 Gamma2 Fr= 1--    -13.5493                 4.7269                 3.7550
 Delta2 Fr= 1--     -6.1470                 0.8950                -0.0419
 Raman1 Fr= 1--      26.497                 16.853                 12.070
 ROA1   Fr= 1--   -1497.432                482.427                359.145
 CID1   Fr= 1--     -56.513                 28.625                 29.755
 Raman2 Fr= 1--      11.311                  7.219                  5.173
 ROA2   Fr= 1--    -276.007                106.287                 90.456
 CID2   Fr= 1--     -24.401                 14.723                 17.487
 Raman3 Fr= 1--      22.622                 14.438                 10.345
 ROA3   Fr= 1--   -1497.432                482.427                359.145
 CID3   Fr= 1--     -66.193                 33.413                 34.716
 RC180  Fr= 1--       0.708                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     3   7    -0.02   0.02  -0.02    -0.02   0.02  -0.03    -0.00   0.00  -0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7     0.02   0.01   0.02     0.02   0.02   0.02    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
     7   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.01
     8   7    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00   0.03   0.02
     9   7     0.00  -0.02   0.01    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   7    -0.01   0.01   0.03     0.01  -0.01  -0.03     0.01  -0.01  -0.03
    11   6    -0.01  -0.00   0.01     0.01   0.00  -0.01     0.00   0.00  -0.01
    12   1    -0.01  -0.00   0.02     0.00  -0.01   0.00     0.01  -0.01  -0.02
    13   1     0.01   0.01   0.01     0.00   0.01   0.01    -0.01   0.00  -0.00
    14   1     0.00   0.02  -0.02    -0.02   0.00  -0.01    -0.01  -0.01   0.02
    15   1     0.00  -0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1     0.00   0.02   0.03     0.02   0.01   0.01    -0.01   0.01   0.02
    17   1    -0.01  -0.02   0.02    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    18   1     0.01  -0.00  -0.02     0.00  -0.01  -0.01     0.01   0.01  -0.02
    19   1    -0.01   0.01  -0.02    -0.01   0.01  -0.01    -0.01  -0.00  -0.00
    20   1     0.03   0.06  -0.23    -0.01  -0.03   0.10     0.06   0.10  -0.34
    21   1    -0.10   0.21  -0.02     0.04  -0.09   0.01    -0.14   0.33  -0.02
    22   1     0.09  -0.00   0.32     0.11  -0.00   0.38     0.00   0.00   0.01
    23   1     0.19  -0.28   0.03     0.23  -0.33   0.04     0.02   0.00  -0.00
    24   1    -0.06  -0.00  -0.26    -0.10  -0.00  -0.36     0.01  -0.00   0.02
    25   1    -0.16  -0.21  -0.03    -0.23  -0.30  -0.04     0.03   0.01   0.00
    26   1    -0.02   0.06   0.22     0.01  -0.04  -0.13     0.05  -0.10  -0.32
    27   1     0.10   0.20   0.01    -0.06  -0.12  -0.01    -0.14  -0.31  -0.02
    28   6     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.00  -0.00  -0.01
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.03     0.01   0.01  -0.03
    30   1    -0.10  -0.02  -0.32     0.09   0.04   0.28     0.10   0.03   0.32
    31   1     0.27  -0.09  -0.16    -0.23   0.09   0.14    -0.28   0.10   0.17
    32   1     0.01   0.02  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.01
    33   1     0.02  -0.01   0.00    -0.02   0.01  -0.00     0.01   0.02   0.01
    34   1    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.00  -0.02   0.01
    35   1    -0.01   0.02   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.01
    36   1     0.09  -0.02   0.29    -0.08   0.04  -0.26     0.11  -0.03   0.35
    37   1    -0.25  -0.07   0.15     0.22   0.07  -0.14    -0.30  -0.09   0.18
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3068.8507              3070.7181              3071.1920
 Red. masses --      1.0636                 1.0634                 1.0632
 Frc consts  --      5.9015                 5.9076                 5.9083
 IR Inten    --      5.4920                 5.5694                 5.5354
 RamAct Fr= 1--    225.2440               195.6864               212.4859
  Dep-P Fr= 1--      0.0335                 0.0385                 0.0359
  Dep-U Fr= 1--      0.0648                 0.0741                 0.0693
 Alpha2 Fr= 1--      4.6269                 3.9728                 4.3401
 Beta2  Fr= 1--      2.4332                 2.4158                 2.4544
 AlphaG Fr= 1--     -0.6423                 0.1570                 0.1708
 Gamma2 Fr= 1--     -4.6862                 6.9363                 3.6959
 Delta2 Fr= 1--     -1.4659                 6.2583                 4.2696
 Raman1 Fr= 1--     900.976                782.746                849.944
 ROA1   Fr= 1--    -496.787                866.147                491.433
 CID1   Fr= 1--      -0.551                  1.107                  0.578
 Raman2 Fr= 1--      29.198                 28.990                 29.453
 ROA2   Fr= 1--    -100.743                116.405                 54.544
 CID2   Fr= 1--      -3.450                  4.015                  1.852
 Raman3 Fr= 1--      58.396                 57.980                 58.905
 ROA3   Fr= 1--    -496.787                866.147                491.433
 CID3   Fr= 1--      -8.507                 14.939                  8.343
 RC180  Fr= 1--      -0.870                 -0.852                 -0.861
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.03   0.03
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.04  -0.01  -0.04
     3   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.04   0.03    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.01   0.00   0.00    -0.36  -0.03  -0.12     0.00   0.00   0.00
    13   1    -0.01  -0.01   0.01     0.28   0.45  -0.27    -0.00  -0.01   0.00
    14   1     0.00  -0.01  -0.00    -0.13   0.33   0.10     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.01    -0.29  -0.44   0.27     0.01   0.01  -0.01
    16   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.17  -0.36   0.12
    17   1    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.29   0.49   0.29
    18   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.32   0.04  -0.11
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.01     0.23  -0.42  -0.25
    20   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    31   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   1     0.46  -0.00   0.43     0.00   0.00   0.00    -0.02   0.00  -0.01
    33   1     0.04   0.30  -0.24     0.00   0.00  -0.00    -0.00  -0.01   0.01
    34   1    -0.02   0.26   0.21    -0.00   0.01   0.01    -0.00   0.00   0.00
    35   1    -0.42   0.02  -0.39    -0.02   0.00  -0.02    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.6836              3075.9126              3076.3064
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9062                 5.9112                 5.9126
 IR Inten    --      8.4237                 7.5395                 9.6992
 RamAct Fr= 1--     38.1937                34.6263                51.7615
  Dep-P Fr= 1--      0.7355                 0.7480                 0.6965
  Dep-U Fr= 1--      0.8476                 0.8558                 0.8211
 Alpha2 Fr= 1--      0.0094                 0.0012                 0.0484
 Beta2  Fr= 1--      5.3956                 4.9390                 7.0833
 AlphaG Fr= 1--     -0.0015                 0.0005                -0.0063
 Gamma2 Fr= 1--      8.0148                -5.6486                -7.1590
 Delta2 Fr= 1--      5.7847                -4.7829                -6.1322
 Raman1 Fr= 1--     152.775                138.505                207.046
 ROA1   Fr= 1--     954.532               -695.323               -883.498
 CID1   Fr= 1--       6.248                 -5.020                 -4.267
 Raman2 Fr= 1--      64.748                 59.268                 85.000
 ROA2   Fr= 1--     146.077                -97.304               -122.759
 CID2   Fr= 1--       2.256                 -1.642                 -1.444
 Raman3 Fr= 1--     129.496                118.536                169.999
 ROA3   Fr= 1--     954.532               -695.323               -883.498
 CID3   Fr= 1--       7.371                 -5.866                 -5.197
 RC180  Fr= 1--       0.695                  0.712                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.02  -0.03  -0.04
     2   6    -0.00   0.00   0.00     0.01   0.00  -0.01     0.03   0.01  -0.03
     3   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04  -0.01  -0.03    -0.01   0.00   0.01
     7   6    -0.00   0.00  -0.00    -0.02   0.03  -0.03     0.00  -0.01   0.01
     8   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.03   0.03   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00     0.48   0.03   0.15    -0.09  -0.01  -0.03
    13   1    -0.01  -0.01   0.01    -0.22  -0.36   0.22     0.04   0.07  -0.04
    14   1     0.00  -0.00  -0.00    -0.19   0.44   0.14     0.03  -0.08  -0.02
    15   1     0.00   0.00  -0.00    -0.24  -0.37   0.23     0.04   0.07  -0.04
    16   1     0.00   0.01  -0.00    -0.03  -0.07   0.02    -0.19  -0.39   0.12
    17   1     0.01  -0.01  -0.01    -0.04   0.06   0.04    -0.19   0.33   0.20
    18   1     0.01  -0.00   0.00     0.09  -0.01   0.03     0.52  -0.05   0.17
    19   1    -0.01   0.01   0.01    -0.04   0.07   0.04    -0.23   0.40   0.24
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    28   6     0.04  -0.04   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.35   0.00  -0.32     0.01  -0.00   0.01    -0.00   0.00  -0.00
    33   1    -0.05  -0.37   0.29     0.00   0.01  -0.00    -0.00   0.00  -0.00
    34   1    -0.03   0.40   0.32     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    35   1    -0.39   0.01  -0.36     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.5617              3116.3029              3116.5435
 Red. masses --      1.1071                 1.1076                 1.1078
 Frc consts  --      6.3315                 6.3376                 6.3394
 IR Inten    --      8.9964                10.0790                 4.5510
 RamAct Fr= 1--    139.3218               127.0037               146.6753
  Dep-P Fr= 1--      0.4365                 0.5833                 0.2293
  Dep-U Fr= 1--      0.6077                 0.7368                 0.3730
 Alpha2 Fr= 1--      0.9009                 0.3962                 1.8409
 Beta2  Fr= 1--     14.1116                15.5965                 9.1192
 AlphaG Fr= 1--      0.1128                -0.1962                -0.9545
 Gamma2 Fr= 1--    -27.3244                -5.8749                56.5315
 Delta2 Fr= 1--    -19.6587               -19.9154                32.2334
 Raman1 Fr= 1--     557.287                508.015                586.701
 ROA1   Fr= 1--   -3252.219              -1201.285               6458.492
 CID1   Fr= 1--      -5.836                 -2.365                 11.008
 Raman2 Fr= 1--     169.339                187.158                109.431
 ROA2   Fr= 1--    -498.516                 18.324               1098.888
 CID2   Fr= 1--      -2.944                  0.098                 10.042
 Raman3 Fr= 1--     338.677                374.316                218.862
 ROA3   Fr= 1--   -3252.219              -1201.285               6458.492
 CID3   Fr= 1--      -9.603                 -3.209                 29.509
 RC180  Fr= 1--       0.215                  0.474                 -0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.02   0.00    -0.01  -0.06   0.00
     3   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.06   0.00     0.00  -0.02  -0.00
     7   6     0.00   0.00   0.00    -0.06  -0.02  -0.00     0.02   0.01   0.00
     8   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.03  -0.00  -0.01     0.52   0.02   0.18    -0.20  -0.01  -0.07
    13   1    -0.01  -0.02   0.01     0.16   0.26  -0.17    -0.06  -0.10   0.06
    14   1    -0.01   0.03   0.01     0.22  -0.49  -0.17    -0.08   0.19   0.07
    15   1     0.01   0.02  -0.01    -0.17  -0.25   0.16     0.06   0.09  -0.06
    16   1     0.01   0.02  -0.01     0.09   0.19  -0.07     0.25   0.49  -0.17
    17   1    -0.01   0.01   0.01    -0.06   0.10   0.06    -0.16   0.26   0.17
    18   1     0.03  -0.00   0.01     0.19  -0.02   0.07     0.50  -0.04   0.18
    19   1     0.01  -0.01  -0.01     0.06  -0.10  -0.06     0.14  -0.27  -0.16
    20   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    28   6    -0.02  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1    -0.27  -0.00  -0.24    -0.01  -0.00  -0.01     0.02   0.00   0.02
    33   1     0.08   0.48  -0.37     0.00   0.02  -0.02    -0.01  -0.03   0.03
    34   1    -0.06   0.47   0.36    -0.00   0.02   0.01     0.00  -0.03  -0.02
    35   1     0.26  -0.02   0.23     0.01  -0.00   0.01    -0.02   0.00  -0.02
    36   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    37   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5685              3126.8136              3127.1841
 Red. masses --      1.1102                 1.1101                 1.1101
 Frc consts  --      6.3901                 6.3949                 6.3960
 IR Inten    --      4.5984                 2.6386                 3.6640
 RamAct Fr= 1--     47.9721                53.0205                43.4835
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      6.8528                 7.5743                 6.2119
 AlphaG Fr= 1--      0.0000                 0.0002                -0.0000
 Gamma2 Fr= 1--     28.2400               -33.2723               -27.5661
 Delta2 Fr= 1--      4.4846                -4.3818                -3.4921
 Raman1 Fr= 1--     191.888                212.082                173.934
 ROA1   Fr= 1--    2854.544              -3334.355              -2758.090
 CID1   Fr= 1--      14.876                -15.722                -15.857
 Raman2 Fr= 1--      82.233                 90.892                 74.543
 ROA2   Fr= 1--     641.883               -763.481               -633.648
 CID2   Fr= 1--       7.806                 -8.400                 -8.500
 Raman3 Fr= 1--     164.467                181.783                149.086
 ROA3   Fr= 1--    2854.544              -3334.355              -2758.090
 CID3   Fr= 1--      17.356                -18.342                -18.500
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.06   0.04   0.01
     2   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.07   0.01
     3   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.07   0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00    -0.06  -0.03   0.01    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.03  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.02   0.00   0.01     0.46   0.02   0.16     0.04   0.00   0.01
    13   1     0.01   0.01  -0.01     0.23   0.38  -0.24     0.02   0.03  -0.02
    14   1    -0.01   0.02   0.01    -0.19   0.43   0.15    -0.02   0.04   0.01
    15   1     0.01   0.01  -0.01     0.24   0.36  -0.24     0.02   0.03  -0.02
    16   1    -0.01  -0.01   0.00     0.02   0.03  -0.01    -0.20  -0.41   0.14
    17   1     0.01  -0.01  -0.01    -0.02   0.03   0.02     0.22  -0.36  -0.23
    18   1     0.01  -0.00   0.00    -0.04   0.00  -0.01     0.46  -0.04   0.16
    19   1     0.01  -0.01  -0.01    -0.02   0.04   0.02     0.22  -0.41  -0.25
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.01
    21   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.02   0.01
    23   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.03  -0.03  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.36   0.00   0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    33   1    -0.07  -0.39   0.30     0.00   0.01  -0.01     0.00   0.01  -0.01
    34   1    -0.05   0.40   0.31     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    35   1     0.37  -0.02   0.33    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.7968              3431.9090              3432.9512
 Red. masses --      1.0521                 1.0524                 1.0525
 Frc consts  --      7.2965                 7.3032                 7.3084
 IR Inten    --     57.2342                43.1794                29.0205
 RamAct Fr= 1--      6.2240                34.2626                28.8734
  Dep-P Fr= 1--      0.7051                 0.2059                 0.1004
  Dep-U Fr= 1--      0.8270                 0.3414                 0.1825
 Alpha2 Fr= 1--      0.0049                 0.4581                 0.5050
 Beta2  Fr= 1--      0.8579                 1.9497                 0.8783
 AlphaG Fr= 1--      0.0013                 0.1194                 0.5290
 Gamma2 Fr= 1--      8.2889                 3.8796                 5.1435
 Delta2 Fr= 1--     -0.7478                 2.9363                -2.4314
 Raman1 Fr= 1--      24.896                137.050                115.494
 ROA1   Fr= 1--     771.799                466.408                415.973
 CID1   Fr= 1--      31.001                  3.403                  3.602
 Raman2 Fr= 1--      10.295                 23.397                 10.540
 ROA2   Fr= 1--     204.915                 69.621                142.895
 CID2   Fr= 1--      19.904                  2.976                 13.557
 Raman3 Fr= 1--      20.590                 46.793                 21.080
 ROA3   Fr= 1--     771.799                466.408                415.973
 CID3   Fr= 1--      37.484                  9.967                 19.733
 RC180  Fr= 1--       0.654                 -0.317                 -0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   7     0.00  -0.00   0.01    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.01  -0.01
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7    -0.02  -0.03  -0.03     0.01   0.02   0.02     0.01   0.02   0.01
     9   7    -0.01   0.03  -0.02    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    10   7    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.01   0.00   0.03
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00   0.01  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    18   1     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    20   1     0.27  -0.38  -0.10     0.25  -0.35  -0.09     0.13  -0.18  -0.05
    21   1    -0.09   0.02   0.44    -0.08   0.02   0.41    -0.04   0.01   0.21
    22   1    -0.03   0.08   0.01     0.12  -0.27  -0.05    -0.16   0.39   0.07
    23   1    -0.00  -0.02  -0.08     0.01   0.06   0.28    -0.01  -0.08  -0.37
    24   1    -0.03  -0.06   0.01    -0.12  -0.25   0.05     0.05   0.10  -0.02
    25   1    -0.00   0.01  -0.06    -0.01   0.06  -0.26     0.00  -0.02   0.09
    26   1     0.32   0.42  -0.11    -0.23  -0.29   0.08    -0.17  -0.22   0.06
    27   1    -0.10  -0.02   0.49     0.07   0.01  -0.35     0.05   0.01  -0.25
    28   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
    30   1     0.03  -0.00  -0.01    -0.07   0.01   0.02     0.36  -0.06  -0.08
    31   1    -0.02   0.00  -0.03     0.04  -0.01   0.07    -0.23   0.05  -0.37
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.01
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   1     0.03   0.00  -0.01     0.08   0.01  -0.02    -0.17  -0.02   0.04
    37   1    -0.02  -0.00  -0.03    -0.05  -0.01  -0.08     0.11   0.02   0.17
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.1145              3433.9272              3434.9751
 Red. masses --      1.0525                 1.0528                 1.0527
 Frc consts  --      7.3087                 7.3146                 7.3180
 IR Inten    --    113.8432                10.1638                 0.2106
 RamAct Fr= 1--      3.4453                18.9440               373.6746
  Dep-P Fr= 1--      0.1558                 0.7179                 0.0103
  Dep-U Fr= 1--      0.2696                 0.8358                 0.0204
 Alpha2 Fr= 1--      0.0525                 0.0105                 8.1067
 Beta2  Fr= 1--      0.1548                 2.6388                 1.2677
 AlphaG Fr= 1--      0.0656                -0.0026                 0.5056
 Gamma2 Fr= 1--      1.4352                -5.3247               -14.2341
 Delta2 Fr= 1--     -0.4139                -0.6092                -1.5543
 Raman1 Fr= 1--      13.781                 75.776               1494.698
 ROA1   Fr= 1--     124.536               -530.664              -1416.211
 CID1   Fr= 1--       9.037                 -7.003                 -0.947
 Raman2 Fr= 1--       1.858                 31.666                 15.213
 ROA2   Fr= 1--      37.757               -122.918               -329.184
 CID2   Fr= 1--      20.324                 -3.882                -21.638
 Raman3 Fr= 1--       3.716                 63.331                 30.426
 ROA3   Fr= 1--     124.536               -530.664              -1416.211
 CID3   Fr= 1--      33.518                 -8.379                -46.546
 RC180  Fr= 1--      -0.461                  0.672                 -0.959
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   7    -0.01   0.01  -0.01     0.01  -0.02   0.02    -0.01   0.02  -0.02
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.02  -0.02  -0.02     0.01   0.02   0.02     0.01   0.02   0.02
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     9   7    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01   0.01
    10   7     0.00  -0.00  -0.01     0.01  -0.00  -0.03    -0.01   0.00   0.03
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.10  -0.14  -0.03    -0.01   0.02   0.00    -0.09   0.13   0.03
    21   1    -0.03   0.01   0.15     0.00  -0.00  -0.02     0.03  -0.01  -0.13
    22   1     0.10  -0.23  -0.04    -0.13   0.30   0.06     0.12  -0.28  -0.05
    23   1     0.01   0.05   0.22    -0.01  -0.06  -0.29     0.01   0.06   0.26
    24   1     0.20   0.42  -0.08    -0.14  -0.30   0.06    -0.15  -0.30   0.06
    25   1     0.01  -0.09   0.41    -0.01   0.07  -0.30    -0.01   0.06  -0.29
    26   1    -0.01  -0.01   0.00    -0.02  -0.02   0.01     0.09   0.12  -0.03
    27   1     0.00   0.00  -0.02     0.01   0.00  -0.02    -0.03  -0.00   0.12
    28   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   7     0.01   0.00  -0.03     0.01   0.00  -0.03     0.01   0.00  -0.03
    30   1    -0.15   0.02   0.04    -0.36   0.06   0.08     0.32  -0.05  -0.07
    31   1     0.10  -0.02   0.15     0.24  -0.05   0.37    -0.21   0.04  -0.32
    32   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.00  -0.00  -0.01
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    34   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.01
    36   1    -0.38  -0.04   0.09    -0.32  -0.04   0.07    -0.34  -0.04   0.08
    37   1     0.25   0.04   0.38     0.21   0.03   0.32     0.22   0.03   0.34
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6677              3480.9021              3481.4934
 Red. masses --      1.0931                 1.0930                 1.0929
 Frc consts  --      7.8024                 7.8026                 7.8049
 IR Inten    --      3.8485                27.7264                86.2970
 RamAct Fr= 1--      9.7929                 5.3562                 2.3562
  Dep-P Fr= 1--      0.7497                 0.6905                 0.6911
  Dep-U Fr= 1--      0.8570                 0.8169                 0.8173
 Alpha2 Fr= 1--      0.0000                 0.0056                 0.0024
 Beta2  Fr= 1--      1.3987                 0.7293                 0.3210
 AlphaG Fr= 1--     -0.0002                -0.0238                -0.0045
 Gamma2 Fr= 1--    -11.8610                 2.3153                -2.2608
 Delta2 Fr= 1--      5.6199                 1.9790                -1.1835
 Raman1 Fr= 1--      39.172                 21.425                  9.425
 ROA1   Fr= 1--    -958.820                285.593               -254.911
 CID1   Fr= 1--     -24.477                 13.330                -27.047
 Raman2 Fr= 1--      16.784                  8.751                  3.852
 ROA2   Fr= 1--    -329.623                 39.734                -44.792
 CID2   Fr= 1--     -19.639                  4.540                -11.630
 Raman3 Fr= 1--      33.569                 17.502                  7.703
 ROA3   Fr= 1--    -958.820                285.593               -254.911
 CID3   Fr= 1--     -28.563                 16.317                -33.092
 RC180  Fr= 1--       0.714                  0.634                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   7     0.01  -0.03  -0.04     0.00  -0.01  -0.01    -0.01   0.02   0.03
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7     0.01   0.02  -0.02    -0.01  -0.03   0.03    -0.01  -0.02   0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   7    -0.02  -0.02   0.04    -0.02  -0.02   0.03    -0.02  -0.02   0.03
     9   7    -0.01   0.01   0.02     0.03  -0.03  -0.04    -0.01   0.01   0.02
    10   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.00  -0.01
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    14   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.01   0.00     0.01   0.01  -0.01     0.00   0.01  -0.00
    16   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.01   0.01   0.01    -0.00   0.00   0.00     0.00  -0.01  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.00
    20   1     0.12  -0.17  -0.03    -0.29   0.40   0.08     0.11  -0.16  -0.03
    21   1     0.04  -0.00  -0.21    -0.09   0.01   0.52     0.04  -0.00  -0.22
    22   1    -0.16   0.39   0.05    -0.06   0.15   0.02     0.12  -0.28  -0.04
    23   1     0.02   0.08   0.46     0.01   0.03   0.16    -0.02  -0.06  -0.33
    24   1    -0.11  -0.22   0.03     0.14   0.30  -0.04     0.09   0.19  -0.03
    25   1     0.01  -0.05   0.27    -0.01   0.06  -0.35    -0.01   0.04  -0.24
    26   1     0.25   0.32  -0.06     0.17   0.22  -0.04     0.18   0.23  -0.05
    27   1     0.07   0.00  -0.44     0.05   0.00  -0.30     0.06   0.00  -0.33
    28   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    30   1     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.26  -0.04  -0.07
    31   1     0.02  -0.00   0.03    -0.02   0.00  -0.03     0.11  -0.03   0.20
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.01
    36   1     0.04   0.00  -0.01    -0.01  -0.00   0.00     0.38   0.04  -0.11
    37   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.17   0.03   0.29
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.9790              3482.5007              3482.6205
 Red. masses --      1.0926                 1.0926                 1.0926
 Frc consts  --      7.8051                 7.8068                 7.8075
 IR Inten    --      2.4113                33.8471                48.2990
 RamAct Fr= 1--     34.6208                56.4920                41.2635
  Dep-P Fr= 1--      0.6058                 0.7491                 0.7486
  Dep-U Fr= 1--      0.7545                 0.8566                 0.8562
 Alpha2 Fr= 1--      0.0921                 0.0008                 0.0010
 Beta2  Fr= 1--      4.3536                 8.0649                 5.8885
 AlphaG Fr= 1--     -0.0031                -0.0444                -0.0406
 Gamma2 Fr= 1--    -71.7175                51.2008                36.4584
 Delta2 Fr= 1--    -20.0716                 7.1413                 4.4189
 Raman1 Fr= 1--     138.483                225.968                165.054
 ROA1   Fr= 1--   -7527.166               5143.797               3641.413
 CID1   Fr= 1--     -54.354                 22.763                 22.062
 Raman2 Fr= 1--      52.244                 96.779                 70.662
 ROA2   Fr= 1--   -1560.646               1171.689                839.651
 CID2   Fr= 1--     -29.872                 12.107                 11.883
 Raman3 Fr= 1--     104.487                193.559                141.325
 ROA3   Fr= 1--   -7527.166               5143.797               3641.413
 CID3   Fr= 1--     -72.039                 26.575                 25.766
 RC180  Fr= 1--       0.509                  0.713                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7     0.00  -0.01  -0.02     0.01  -0.03  -0.03    -0.00   0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.02   0.03    -0.00  -0.01   0.01     0.01   0.03  -0.03
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   7     0.01   0.01  -0.01     0.02   0.02  -0.03     0.00   0.00  -0.00
     9   7    -0.01   0.01   0.02    -0.00  -0.00   0.00     0.02  -0.02  -0.03
    10   7    -0.05   0.01  -0.02    -0.00   0.00  -0.00    -0.05   0.01  -0.02
    11   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    20   1     0.09  -0.13  -0.03     0.00   0.00   0.00    -0.18   0.26   0.05
    21   1     0.03  -0.00  -0.18     0.00  -0.00  -0.01    -0.06   0.00   0.35
    22   1    -0.07   0.17   0.02    -0.13   0.30   0.04     0.02  -0.05  -0.01
    23   1     0.01   0.04   0.21     0.02   0.06   0.37    -0.00  -0.01  -0.06
    24   1     0.12   0.26  -0.04     0.06   0.12  -0.02    -0.15  -0.31   0.04
    25   1    -0.01   0.05  -0.32    -0.01   0.02  -0.14     0.02  -0.07   0.40
    26   1    -0.07  -0.09   0.02    -0.19  -0.24   0.05    -0.03  -0.04   0.01
    27   1    -0.02  -0.00   0.12    -0.06  -0.00   0.34    -0.01   0.00   0.05
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   7     0.04   0.00   0.01    -0.05  -0.01  -0.02    -0.01  -0.00  -0.00
    30   1     0.47  -0.07  -0.13     0.03  -0.00  -0.01     0.48  -0.07  -0.14
    31   1     0.20  -0.05   0.35     0.01  -0.00   0.02     0.21  -0.05   0.38
    32   1     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
    33   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    35   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    36   1    -0.35  -0.04   0.10     0.50   0.05  -0.14     0.10   0.01  -0.03
    37   1    -0.15  -0.03  -0.26     0.23   0.04   0.39     0.04   0.01   0.07

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  7 and mass  14.00307
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2573.971562610.576283843.64264
           X            1.00000  -0.00052  -0.00033
           Y            0.00052   1.00000   0.00001
           Z            0.00033  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03365     0.03318     0.02253
 Rotational constants (GHZ):           0.70115     0.69132     0.46954
 Zero-point vibrational energy     925981.6 (Joules/Mol)
                                  221.31492 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    121.13   126.52   146.45   207.96   208.88
          (Kelvin)            234.63   309.72   313.44   318.79   359.51
                              417.78   435.00   441.07   474.88   477.00
                              576.66   578.43   581.77   662.68   667.75
                              724.59   768.36   782.28   804.18   979.22
                              987.22  1028.71  1068.34  1072.44  1104.84
                             1246.32  1246.42  1248.31  1250.17  1255.52
                             1257.55  1412.45  1414.40  1415.03  1436.63
                             1439.93  1451.24  1508.14  1509.04  1511.21
                             1599.42  1609.80  1610.51  1684.28  1686.57
                             1711.83  1760.29  1764.39  1790.93  1859.32
                             1859.77  1866.53  1915.67  1918.93  1928.42
                             1938.76  1940.42  1943.00  2020.98  2022.02
                             2024.24  2076.37  2078.80  2079.57  2162.32
                             2163.14  2163.80  2164.18  2164.71  2164.86
                             2359.50  2383.33  2383.58  2386.33  2401.32
                             2404.73  4415.39  4418.08  4418.76  4423.78
                             4425.55  4426.12  4482.60  4483.66  4484.01
                             4497.00  4498.79  4499.32  4936.15  4937.75
                             4939.25  4939.49  4940.66  4942.16  5007.90
                             5008.24  5009.09  5009.79  5010.54  5010.71
 
 Zero-point correction=                           0.352688 (Hartree/Particle)
 Thermal correction to Energy=                    0.367694
 Thermal correction to Enthalpy=                  0.368638
 Thermal correction to Gibbs Free Energy=         0.312213
 Sum of electronic and zero-point Energies=           -681.282782
 Sum of electronic and thermal Energies=              -681.267775
 Sum of electronic and thermal Enthalpies=            -681.266831
 Sum of electronic and thermal Free Energies=         -681.323256
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.732             60.537            118.757
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.624
 Vibrational            228.954             54.575             44.313
 Vibration     1          0.601              1.960              3.791
 Vibration     2          0.601              1.958              3.706
 Vibration     3          0.604              1.948              3.420
 Vibration     4          0.616              1.909              2.743
 Vibration     5          0.617              1.908              2.734
 Vibration     6          0.623              1.888              2.514
 Vibration     7          0.645              1.818              1.999
 Vibration     8          0.646              1.814              1.977
 Vibration     9          0.648              1.808              1.946
 Vibration    10          0.663              1.763              1.731
 Vibration    11          0.686              1.692              1.472
 Vibration    12          0.694              1.669              1.404
 Vibration    13          0.697              1.661              1.381
 Vibration    14          0.713              1.615              1.260
 Vibration    15          0.714              1.613              1.253
 Vibration    16          0.767              1.468              0.960
 Vibration    17          0.768              1.466              0.955
 Vibration    18          0.770              1.461              0.947
 Vibration    19          0.818              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.859              1.242              0.649
 Vibration    22          0.889              1.175              0.578
 Vibration    23          0.899              1.153              0.557
 Vibration    24          0.915              1.120              0.526
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.246609-143       -143.607991       -330.669620
 Total V=0       0.413979D+19         18.616978         42.867176
 Vib (Bot)       0.723990-158       -158.140268       -364.131423
 Vib (Bot)    1  0.244454D+01          0.388197          0.893857
 Vib (Bot)    2  0.233900D+01          0.369030          0.849723
 Vib (Bot)    3  0.201551D+01          0.304384          0.700871
 Vib (Bot)    4  0.140501D+01          0.147681          0.340047
 Vib (Bot)    5  0.139859D+01          0.145690          0.335465
 Vib (Bot)    6  0.123851D+01          0.092899          0.213909
 Vib (Bot)    7  0.920700D+00         -0.035882         -0.082621
 Vib (Bot)    8  0.908802D+00         -0.041531         -0.095628
 Vib (Bot)    9  0.892156D+00         -0.049559         -0.114114
 Vib (Bot)   10  0.781136D+00         -0.107274         -0.247006
 Vib (Bot)   11  0.658450D+00         -0.181477         -0.417866
 Vib (Bot)   12  0.628179D+00         -0.201916         -0.464930
 Vib (Bot)   13  0.618056D+00         -0.208972         -0.481176
 Vib (Bot)   14  0.566075D+00         -0.247126         -0.569028
 Vib (Bot)   15  0.563059D+00         -0.249446         -0.574371
 Vib (Bot)   16  0.444447D+00         -0.352180         -0.810925
 Vib (Bot)   17  0.442681D+00         -0.353909         -0.814906
 Vib (Bot)   18  0.439390D+00         -0.357150         -0.822369
 Vib (Bot)   19  0.369108D+00         -0.432847         -0.996667
 Vib (Bot)   20  0.365231D+00         -0.437432         -1.007225
 Vib (Bot)   21  0.325296D+00         -0.487721         -1.123019
 Vib (Bot)   22  0.298346D+00         -0.525279         -1.209500
 Vib (Bot)   23  0.290369D+00         -0.537050         -1.236604
 Vib (Bot)   24  0.278359D+00         -0.555395         -1.278844
 Vib (V=0)       0.121535D+05          4.084702          9.405373
 Vib (V=0)    1  0.299515D+01          0.476419          1.096994
 Vib (V=0)    2  0.289184D+01          0.461175          1.061894
 Vib (V=0)    3  0.257660D+01          0.411047          0.946471
 Vib (V=0)    4  0.199133D+01          0.299143          0.688803
 Vib (V=0)    5  0.198528D+01          0.297822          0.685760
 Vib (V=0)    6  0.183563D+01          0.263785          0.607387
 Vib (V=0)    7  0.154771D+01          0.189689          0.436774
 Vib (V=0)    8  0.153727D+01          0.186749          0.430005
 Vib (V=0)    9  0.152271D+01          0.182618          0.420494
 Vib (V=0)   10  0.142746D+01          0.154562          0.355893
 Vib (V=0)   11  0.132677D+01          0.122797          0.282751
 Vib (V=0)   12  0.130288D+01          0.114903          0.264574
 Vib (V=0)   13  0.129498D+01          0.112263          0.258495
 Vib (V=0)   14  0.125528D+01          0.098739          0.227355
 Vib (V=0)   15  0.125302D+01          0.097957          0.225555
 Vib (V=0)   16  0.116898D+01          0.067807          0.156131
 Vib (V=0)   17  0.116781D+01          0.067371          0.155128
 Vib (V=0)   18  0.116563D+01          0.066561          0.153262
 Vib (V=0)   19  0.112148D+01          0.049792          0.114651
 Vib (V=0)   20  0.111919D+01          0.048903          0.112603
 Vib (V=0)   21  0.109650D+01          0.040010          0.092127
 Vib (V=0)   22  0.108225D+01          0.034326          0.079039
 Vib (V=0)   23  0.107820D+01          0.032699          0.075292
 Vib (V=0)   24  0.107226D+01          0.030301          0.069770
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181923D+07          6.259887         14.413923
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000006088    0.000012393   -0.000029127
      2        6          -0.000010412    0.000020222   -0.000034694
      3        7           0.000015876    0.000014806   -0.000008825
      4       45          -0.000147600    0.000110840    0.000102558
      5        7           0.000059605   -0.000019709   -0.000018586
      6        6           0.000014122   -0.000007460    0.000008579
      7        6           0.000002758    0.000001907   -0.000008789
      8        7           0.000029479   -0.000028418   -0.000008724
      9        7          -0.000000888   -0.000028104   -0.000013477
     10        7           0.000010204   -0.000014395    0.000052549
     11        6          -0.000007777   -0.000026181   -0.000004356
     12        1           0.000001921    0.000000267   -0.000006840
     13        1           0.000000492   -0.000007520    0.000003449
     14        1          -0.000002219    0.000001846   -0.000003140
     15        1          -0.000004731    0.000006858    0.000010442
     16        1           0.000002366   -0.000000071    0.000004905
     17        1          -0.000008382    0.000001925    0.000022934
     18        1          -0.000001403   -0.000000853    0.000006386
     19        1          -0.000012893    0.000022904    0.000006771
     20        1           0.000034521    0.000012632    0.000013881
     21        1           0.000013770   -0.000002426    0.000003623
     22        1           0.000008119    0.000021941   -0.000013458
     23        1          -0.000012768   -0.000006964   -0.000017925
     24        1           0.000008942   -0.000011910   -0.000009158
     25        1          -0.000000027   -0.000006176   -0.000006194
     26        1           0.000070267   -0.000031160    0.000022512
     27        1           0.000016582    0.000000349    0.000004700
     28        6           0.000000779   -0.000008409   -0.000004398
     29        7          -0.000017702    0.000033792   -0.000003405
     30        1          -0.000007599   -0.000007372   -0.000002012
     31        1          -0.000018064   -0.000004230   -0.000029566
     32        1          -0.000016680   -0.000003441   -0.000034098
     33        1          -0.000002897   -0.000000294   -0.000001814
     34        1           0.000001088   -0.000001170    0.000000741
     35        1          -0.000004516   -0.000015381    0.000006992
     36        1          -0.000001203   -0.000031990   -0.000012591
     37        1          -0.000007043    0.000000951    0.000000152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000147600 RMS     0.000026321
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151837D+03 -0.224111D-02 -0.224096D-01
      2  -0.224111D-02  0.150751D+03 -0.237557D-02
      3  -0.224096D-01 -0.237557D-02  0.122769D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.175572D+01  0.101549D+00  0.166221D+01
      2   0.557747D-01  0.228665D+01 -0.245971D-01
      3   0.235249D+01 -0.113161D+00 -0.382006D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.616199D+01 -0.952233D+02 -0.206811D+00
      2   0.628239D+01  0.101207D+03  0.189609D+00
      3  -0.120408D+00 -0.598388D+01  0.172021D-01
      4  -0.925983D+02  0.634492D+01 -0.470656D+01
      5  -0.174767D+00  0.130175D+01 -0.209517D+00
      6  -0.910002D+01  0.154594D+00 -0.892085D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.782821D+01  0.746836D+00  0.393596D+01 -0.103574D+01 -0.287594D+01
      2   0.746836D+00 -0.247253D+01  0.282529D-01 -0.287594D+01  0.641995D+00
      3   0.393596D+01  0.282529D-01  0.533061D+00 -0.724166D+00  0.213581D+01
                 6             7             8             9            10 
      1  -0.724166D+00  0.319419D+01 -0.266698D+00  0.659114D+00 -0.123339D+01
      2   0.213581D+01 -0.266698D+00  0.158837D+01  0.113912D+01  0.774323D+00
      3   0.984969D+00  0.659114D+00  0.113912D+01 -0.542469D+00 -0.236133D+01
                11            12            13            14            15 
      1   0.774323D+00 -0.236133D+01  0.210230D+01  0.529536D+01 -0.891945D+00
      2   0.404492D+01 -0.123178D+00  0.529536D+01  0.270866D+01 -0.347901D+01
      3  -0.123178D+00  0.889516D+00 -0.891945D+00 -0.347901D+01 -0.240888D+00
                16            17            18            19            20 
      1  -0.180411D+01 -0.469515D+00  0.115003D+01 -0.235904D+01 -0.379601D+01
      2  -0.469515D+00 -0.275225D+01 -0.169221D+00 -0.379601D+01 -0.605737D+01
      3   0.115003D+01 -0.169221D+00  0.623034D+00  0.328085D+01  0.235367D+01
                21            22            23            24            25 
      1   0.328085D+01 -0.183516D+01 -0.398828D+01  0.124682D+01  0.189809D+01
      2   0.235367D+01 -0.398828D+01 -0.292035D+01  0.267341D+01  0.112163D+01
      3  -0.130694D+01  0.124682D+01  0.267341D+01 -0.158449D+01 -0.105644D+01
                26            27            28            29            30 
      1   0.112163D+01 -0.105644D+01  0.130788D+00  0.159552D+01 -0.253277D-02
      2   0.287966D+01 -0.179100D+01  0.159552D+01 -0.120441D+00 -0.162350D+01
      3  -0.179100D+01 -0.149181D+01 -0.253277D-02 -0.162350D+01  0.148465D-01
                31            32            33            34            35 
      1   0.154394D+01 -0.117465D+00  0.194470D+01  0.462287D-02 -0.537291D-01
      2  -0.117465D+00 -0.196677D+01  0.150219D-01 -0.537291D-01  0.758847D-02
      3   0.194470D+01  0.150219D-01  0.164967D+00  0.177069D-01  0.865872D-01
                36            37            38            39            40 
      1   0.177069D-01  0.196745D+01 -0.344706D+01 -0.311941D+01 -0.157065D+01
      2   0.865872D-01 -0.344706D+01  0.624701D+01  0.237559D+01  0.409354D+01
      3   0.254630D-02 -0.311941D+01  0.237559D+01  0.123989D+01  0.126693D+01
                41            42            43            44            45 
      1   0.409354D+01  0.126693D+01 -0.180593D+01  0.107112D+01  0.972390D+00
      2  -0.358690D+01 -0.285068D+01  0.107112D+01 -0.299163D+01 -0.183254D+01
      3  -0.285068D+01 -0.164165D+01  0.972390D+00 -0.183254D+01  0.149187D+01
                46            47            48            49            50 
      1   0.138719D+01  0.316772D+00  0.231397D+01  0.156956D+01 -0.525544D+01
      2   0.316772D+00 -0.398516D+01 -0.666653D-01 -0.525544D+01  0.335029D+01
      3   0.231397D+01 -0.666653D-01 -0.905102D+00 -0.832708D+00  0.352060D+01
                51            52            53            54            55 
      1  -0.832708D+00  0.174219D+01 -0.422688D+00 -0.115147D+01 -0.776586D+01
      2   0.352060D+01 -0.422688D+00  0.280258D+01 -0.129051D+00  0.130280D+01
      3  -0.211171D+00 -0.115147D+01 -0.129051D+00 -0.634784D+00 -0.395409D+01
                56            57            58            59            60 
      1   0.130280D+01 -0.395409D+01 -0.431790D+00  0.286665D+01 -0.642842D+00
      2   0.241101D+01  0.983336D-01  0.286665D+01  0.306753D+00 -0.210926D+01
      3   0.983336D-01 -0.480367D+00 -0.642842D+00 -0.210926D+01  0.101149D+01
                61            62            63            64            65 
      1  -0.319299D+01 -0.204959D+00 -0.601315D+00  0.945794D+01 -0.132854D+01
      2  -0.204959D+00 -0.155892D+01  0.116961D+01 -0.132854D+01 -0.126272D+01
      3  -0.601315D+00  0.116961D+01  0.547908D+00  0.470028D+01 -0.541509D+00
                66            67            68            69            70 
      1   0.470028D+01 -0.418544D+01 -0.518154D+00 -0.175638D+01  0.379530D+01
      2  -0.541509D+00 -0.518154D+00 -0.433596D+00  0.165700D+01  0.394581D-01
      3   0.225832D+01 -0.175638D+01  0.165700D+01 -0.617673D+00  0.220606D+01
                71            72            73            74            75 
      1   0.394581D-01  0.220606D+01 -0.974613D+01 -0.847889D+00 -0.479736D+01
      2   0.117953D+01 -0.174984D+00 -0.847889D+00  0.132299D+01 -0.407422D+00
      3  -0.174984D+00 -0.142513D+01 -0.479736D+01 -0.407422D+00 -0.228800D+01
                76            77            78            79            80 
      1  -0.369200D+01  0.724537D+00 -0.160704D+01 -0.380863D+01  0.146247D+00
      2   0.724537D+00 -0.509077D+00 -0.155935D+01  0.146247D+00 -0.119165D+01
      3  -0.160704D+01 -0.155935D+01 -0.507862D+00 -0.222094D+01 -0.760758D-01
                81            82            83            84            85 
      1  -0.222094D+01 -0.251731D+00  0.163683D+01  0.800890D+00  0.255687D+01
      2  -0.760758D-01  0.163683D+01  0.171826D+01 -0.112141D+01  0.420213D+01
      3   0.141780D+01  0.800890D+00 -0.112141D+01  0.134868D+01 -0.180775D+01
                86            87            88            89            90 
      1   0.420213D+01 -0.180775D+01  0.198044D+00 -0.102337D+01  0.210821D+01
      2   0.811446D+01 -0.497151D+01 -0.102337D+01 -0.305395D+01  0.973594D+00
      3  -0.497151D+01  0.123662D+01  0.210821D+01  0.973594D+00  0.488071D+00
                91            92            93            94            95 
      1  -0.117284D+01 -0.439001D+00 -0.230449D+01 -0.778669D+00 -0.194345D+01
      2  -0.439001D+00 -0.607411D+00  0.545434D+00 -0.194345D+01 -0.393878D+01
      3  -0.230449D+01  0.545434D+00 -0.152915D+01  0.538965D+00  0.443959D+01
                96            97            98            99           100 
      1   0.538965D+00 -0.287335D+01  0.115914D+01 -0.204514D+01  0.106628D+02
      2   0.443959D+01  0.115914D+01  0.602629D+01 -0.185703D+01 -0.207213D+01
      3  -0.920427D+00 -0.204514D+01 -0.185703D+01  0.195943D+00  0.313192D+01
               101           102           103           104           105 
      1  -0.207213D+01  0.313192D+01  0.183298D+00  0.995601D+00  0.326232D+00
      2   0.138272D+01 -0.515725D+00  0.995601D+00 -0.781378D+00  0.685254D+00
      3  -0.515725D+00  0.212160D+01  0.326232D+00  0.685254D+00 -0.181884D+00
               106           107           108           109           110 
      1   0.295780D+01 -0.554620D+00  0.243071D+01 -0.480176D+00 -0.786710D+00
      2  -0.554620D+00  0.628222D+00 -0.726572D+00 -0.786710D+00 -0.140969D+01
      3   0.243071D+01 -0.726572D+00  0.157263D+01  0.982575D+00  0.504118D+00
               111           112           113           114           115 
      1   0.982575D+00 -0.994180D+00 -0.201244D+00  0.898904D-01  0.122813D+01
      2   0.504118D+00 -0.201244D+00 -0.435105D+01  0.206887D+01 -0.227117D+00
      3  -0.862375D+00  0.898904D-01  0.206887D+01 -0.213937D+01  0.649953D-02
               116           117           118           119           120 
      1  -0.227117D+00  0.649953D-02  0.354608D+01 -0.245491D+01 -0.116905D+01
      2   0.190903D+01 -0.174777D+01 -0.245491D+01  0.257466D+01  0.562320D+00
      3  -0.174777D+01  0.220378D+01 -0.116905D+01  0.562320D+00  0.105277D+01
               121           122           123           124           125 
      1  -0.385633D+01  0.442819D+01  0.135364D+01 -0.142614D+01  0.114968D+01
      2   0.442819D+01 -0.682168D+01 -0.237894D+01  0.114968D+01 -0.187622D+01
      3   0.135364D+01 -0.237894D+01 -0.168141D+01  0.163394D+01 -0.171995D+01
               126           127           128           129           130 
      1   0.163394D+01  0.308668D+01  0.969610D+00 -0.161478D+01  0.214195D+01
      2  -0.171995D+01  0.969610D+00  0.109286D+01 -0.435216D+00  0.135750D+01
      3  -0.135866D+01 -0.161478D+01 -0.435216D+00  0.153996D+01 -0.795691D+00
               131           132           133           134           135 
      1   0.135750D+01 -0.795691D+00 -0.197006D+01 -0.138946D+00  0.153222D+01
      2   0.200293D+01 -0.136121D+01 -0.138946D+00 -0.116574D+01  0.768681D+00
      3  -0.136121D+01  0.167133D+01  0.153222D+01  0.768681D+00 -0.209100D+01
               136           137           138           139           140 
      1  -0.394768D+01 -0.259525D+01  0.125484D+01 -0.407227D+01 -0.442901D+01
      2  -0.259525D+01 -0.263398D+01  0.613829D+00 -0.442901D+01 -0.632058D+01
      3   0.125484D+01  0.613829D+00 -0.112619D+01  0.140389D+01  0.229285D+01
               141           142           143           144           145 
      1   0.140389D+01  0.153590D+01  0.117176D+01 -0.171153D+01 -0.290888D+01
      2   0.229285D+01  0.117176D+01  0.177798D+01 -0.165096D+01  0.998881D+00
      3  -0.163496D+01 -0.171153D+01 -0.165096D+01  0.136616D+01  0.156357D+01
               146           147           148           149           150 
      1   0.998881D+00  0.156357D+01  0.216450D+01 -0.142234D+01 -0.804113D+00
      2  -0.110383D+01 -0.444311D+00 -0.142234D+01  0.209006D+01  0.141061D+01
      3  -0.444311D+00 -0.146130D+01 -0.804113D+00  0.141061D+01  0.172995D+01
               151           152           153           154           155 
      1   0.197363D+01 -0.169198D+00 -0.149565D+01 -0.107991D+02 -0.170949D+01
      2  -0.169198D+00  0.117942D+01  0.834080D+00 -0.170949D+01 -0.124919D+01
      3  -0.149565D+01  0.834080D+00  0.209396D+01 -0.313561D+01 -0.411920D+00
               156           157           158           159           160 
      1  -0.313561D+01  0.582137D+00 -0.951954D+00  0.435639D+00 -0.301373D+01
      2  -0.411920D+00 -0.951954D+00 -0.628344D+00 -0.681489D+00 -0.458269D+00
      3  -0.212819D+01  0.435639D+00 -0.681489D+00 -0.872736D-01 -0.246376D+01
               161           162           163           164           165 
      1  -0.458269D+00 -0.246376D+01  0.375351D+00 -0.741269D+00 -0.958834D+00
      2  -0.588525D+00 -0.621698D+00 -0.741269D+00  0.128574D+01  0.453872D+00
      3  -0.621698D+00 -0.157722D+01 -0.958834D+00  0.453872D+00  0.764742D+00
               166           167           168           169           170 
      1  -0.100809D+01  0.902618D-01  0.434977D-01 -0.125182D+01 -0.253783D+00
      2   0.902618D-01 -0.442629D+01 -0.209167D+01 -0.253783D+00 -0.188977D+01
      3   0.434977D-01 -0.209167D+01 -0.217218D+01 -0.812488D-01 -0.174510D+01
               171           172           173           174           175 
      1  -0.812488D-01 -0.224775D+01  0.169520D+01  0.148639D+00  0.351757D+01
      2  -0.174510D+01  0.169520D+01 -0.228570D+01  0.388291D+00 -0.138700D+01
      3  -0.220342D+01  0.148639D+00  0.388291D+00 -0.394983D+00  0.140024D+01
               176           177           178           179           180 
      1  -0.138700D+01  0.140024D+01  0.176769D+01  0.486058D+00  0.318580D+00
      2   0.318225D+01 -0.211907D+00  0.486058D+00  0.642312D-01  0.677610D+00
      3  -0.211907D+00  0.117620D+01  0.318580D+00  0.677610D+00 -0.164502D+00
               181           182           183           184           185 
      1   0.162494D+01  0.379496D+00  0.277063D+00 -0.858462D-01 -0.669387D+00
      2   0.379496D+00 -0.593661D+00  0.523953D-01 -0.669387D+00  0.108394D+00
      3   0.277063D+00  0.523953D-01  0.722567D+00  0.193135D-01 -0.782446D+00
               186           187           188           189           190 
      1   0.193135D-01 -0.184078D+01 -0.216882D+00 -0.133109D+01  0.148421D+01
      2  -0.782446D+00 -0.216882D+00 -0.100596D+01  0.627601D+00  0.411075D-01
      3   0.131496D+00 -0.133109D+01  0.627601D+00 -0.701399D+01 -0.691333D+00
               191           192           193           194           195 
      1   0.411075D-01 -0.691333D+00 -0.172383D+01  0.852082D+00 -0.805997D-01
      2   0.211850D+01 -0.106949D+01  0.852082D+00 -0.579608D+01  0.873763D+00
      3  -0.106949D+01  0.742941D+00 -0.805997D-01  0.873763D+00 -0.102017D+01
               196           197           198           199           200 
      1  -0.970241D+00 -0.982757D+00  0.692617D+00 -0.333347D+00  0.297513D+00
      2  -0.982757D+00 -0.775145D+00 -0.160806D+00  0.297513D+00  0.783265D+00
      3   0.692617D+00 -0.160806D+00  0.255199D+00  0.443449D+00 -0.396335D+00
               201           202           203           204           205 
      1   0.443449D+00  0.651577D+00  0.119888D+01 -0.506610D+00  0.139800D+01
      2  -0.396335D+00  0.119888D+01  0.296446D+00  0.773290D-01  0.491601D+00
      3   0.293231D+00 -0.506610D+00  0.773290D-01  0.597355D+00 -0.327880D+00
               206           207           208           209           210 
      1   0.491601D+00 -0.327880D+00 -0.157289D+01 -0.364143D-01  0.637547D+00
      2   0.137812D+01 -0.136266D+01 -0.364143D-01 -0.237365D+01 -0.113439D+01
      3  -0.136266D+01  0.690097D+01  0.637547D+00 -0.113439D+01 -0.786688D+00
               211           212           213           214           215 
      1  -0.173885D+01 -0.102960D+01 -0.145514D+00  0.886559D+00 -0.981894D+00
      2  -0.102960D+01 -0.561257D+01 -0.811652D+00 -0.981894D+00  0.869828D+00
      3  -0.145514D+00 -0.811652D+00 -0.984178D+00 -0.697210D+00 -0.130894D+00
               216           217           218           219           220 
      1  -0.697210D+00  0.380702D+00  0.194186D+00 -0.482402D+00  0.525821D+00
      2  -0.130894D+00  0.194186D+00 -0.790467D+00 -0.378772D+00 -0.121769D+01
      3  -0.250755D+00 -0.482402D+00 -0.378772D+00 -0.269545D+00 -0.487192D+00
               221           222           223           224           225 
      1  -0.121769D+01 -0.487192D+00 -0.135550D+01  0.492445D+00  0.264221D+00
      2   0.430765D+00 -0.405879D-01  0.492445D+00 -0.142528D+01 -0.138520D+01
      3  -0.405879D-01  0.600114D+00  0.264221D+00 -0.138520D+01 -0.689878D+01
               226           227           228           229           230 
      1   0.253789D+01  0.175150D+01 -0.763788D-01  0.353780D+01  0.125029D+01
      2   0.175150D+01  0.224810D+01  0.406509D+00  0.125029D+01  0.310831D+01
      3  -0.763788D-01  0.406509D+00  0.440658D+00  0.143024D+01  0.843841D-01
               231           232           233           234           235 
      1   0.143024D+01 -0.172534D+01  0.571960D+00 -0.294515D+00 -0.158289D+01
      2   0.843841D-01  0.571960D+00 -0.141731D+00  0.703492D+00  0.500414D+00
      3   0.117926D+01 -0.294515D+00  0.703492D+00  0.159544D+00 -0.270755D+00
               236           237           238           239           240 
      1   0.500414D+00 -0.270755D+00  0.388459D-01  0.654688D+00  0.628823D-01
      2   0.560581D+00  0.968363D-01  0.654688D+00  0.238289D-01  0.777850D+00
      3   0.968363D-01 -0.715845D+00  0.628823D-01  0.777850D+00  0.161667D+00
               241           242           243           244           245 
      1   0.181838D+01 -0.252226D+00  0.135657D+01  0.110605D+01 -0.383731D+00
      2  -0.252226D+00  0.102562D+01  0.568787D+00 -0.383731D+00  0.456982D+00
      3   0.135657D+01  0.568787D+00  0.701049D+01  0.233867D+01  0.235279D+00
               246           247           248           249           250 
      1   0.233867D+01 -0.653943D+00  0.183194D+01  0.247409D+00  0.295734D+01
      2   0.235279D+00  0.183194D+01 -0.409118D+01 -0.446802D+01  0.760319D+00
      3   0.148381D+01  0.247409D+00 -0.446802D+01 -0.979063D+00  0.195948D+01
               251           252           253           254           255 
      1   0.760319D+00  0.195948D+01  0.475738D+00  0.136310D+01 -0.917305D+00
      2  -0.612566D+01 -0.194890D+01  0.136310D+01 -0.152906D+01 -0.870555D+00
      3  -0.194890D+01 -0.197658D+00 -0.917305D+00 -0.870555D+00 -0.130033D+01
               256           257           258           259           260 
      1   0.219187D+01 -0.401296D+01 -0.154827D+01 -0.265282D+00 -0.885049D+00
      2  -0.401296D+01  0.853701D+01  0.509895D+01 -0.885049D+00  0.314658D+01
      3  -0.154827D+01  0.509895D+01  0.129812D+01 -0.207321D+01  0.107012D+01
               261           262           263           264           265 
      1  -0.207321D+01  0.524947D+01  0.653828D+00 -0.248244D+01 -0.144506D-01
      2   0.107012D+01  0.653828D+00  0.240158D+01 -0.577710D+00  0.153159D+00
      3  -0.480002D+00 -0.248244D+01 -0.577710D+00  0.194688D+01  0.440630D+00
               266           267           268           269           270 
      1   0.153159D+00  0.440630D+00 -0.162368D+01  0.233345D+00  0.113082D+01
      2  -0.125131D+01  0.722030D+00  0.233345D+00  0.511459D+00 -0.343437D-01
      3   0.722030D+00 -0.409740D+00  0.113082D+01 -0.343437D-01 -0.174616D+01
               271           272           273           274           275 
      1  -0.497652D+00 -0.595736D+00 -0.677981D+00  0.641744D-01 -0.955014D+00
      2  -0.595736D+00 -0.239887D+01  0.111770D+01 -0.955014D+00 -0.272781D+00
      3  -0.677981D+00  0.111770D+01 -0.197755D+01  0.454897D+00 -0.134008D+00
               276           277           278           279           280 
      1   0.454897D+00 -0.100119D+01 -0.630518D-01 -0.517233D+00  0.413819D+01
      2  -0.134008D+00 -0.630518D-01 -0.147786D+01  0.123496D+01  0.116837D+01
      3   0.462415D+00 -0.517233D+00  0.123496D+01 -0.553861D+01  0.162063D+01
               281           282           283           284           285 
      1   0.116837D+01  0.162063D+01  0.506737D+00  0.121103D+01  0.106828D+00
      2   0.211125D+01  0.396783D+00  0.121103D+01  0.855158D+00  0.320029D+00
      3   0.396783D+00  0.146751D+01  0.106828D+00  0.320029D+00  0.264015D+00
               286           287           288           289           290 
      1   0.258650D+01  0.477035D+00  0.171943D+01  0.965371D+00  0.170258D+01
      2   0.477035D+00  0.904654D+00  0.924021D+00  0.170258D+01  0.117591D+01
      3   0.171943D+01  0.924021D+00  0.217698D+01 -0.399767D+00 -0.534228D+00
               291           292           293           294           295 
      1  -0.399767D+00  0.150957D+01  0.169558D+01 -0.597245D+00 -0.455756D+00
      2  -0.534228D+00  0.169558D+01  0.906813D+01 -0.293636D+01 -0.130165D+01
      3   0.479354D+00 -0.597245D+00 -0.293636D+01  0.196967D+01  0.999001D+00
               296           297           298           299           300 
      1  -0.130165D+01  0.999001D+00 -0.752174D+00  0.162538D+01  0.356049D+00
      2  -0.504475D+01  0.310191D+01  0.162538D+01 -0.914754D+00 -0.417201D+00
      3   0.310191D+01 -0.254956D+01  0.356049D+00 -0.417201D+00 -0.389194D+00
               301           302           303           304           305 
      1   0.140726D+01 -0.142917D+01 -0.482842D+00  0.352017D+00 -0.109179D+01
      2  -0.142917D+01  0.924745D+01  0.297982D+01 -0.109179D+01  0.515744D+01
      3  -0.482842D+00  0.297982D+01  0.198791D+01 -0.859374D+00  0.314368D+01
               306           307           308           309           310 
      1  -0.859374D+00 -0.400564D+01  0.121294D+01 -0.159105D+01  0.585427D+00
      2   0.314368D+01  0.121294D+01 -0.212707D+01  0.468709D+00 -0.122411D+01
      3   0.254915D+01 -0.159105D+01  0.468709D+00 -0.144874D+01  0.171400D+00
               311           312           313           314           315 
      1  -0.122411D+01  0.171400D+00 -0.253779D+01  0.564470D+00 -0.167076D+01
      2   0.112791D+01 -0.319147D+00  0.564470D+00 -0.904169D+00  0.101448D+01
      3  -0.319147D+00  0.335932D+00 -0.167076D+01  0.101448D+01 -0.217065D+01
               316           317           318           319           320 
      1  -0.520548D+01  0.772884D+00  0.247320D+01  0.167131D+00 -0.232635D+00
      2   0.772884D+00 -0.245332D+01 -0.718117D+00 -0.232635D+00 -0.102295D+01
      3   0.247320D+01 -0.718117D+00 -0.196619D+01  0.299911D+00 -0.709168D+00
               321           322           323           324           325 
      1   0.299911D+00  0.163405D+01  0.124204D+00 -0.113208D+01  0.457605D+00
      2  -0.709168D+00  0.124204D+00 -0.544173D+00  0.167122D-01 -0.465919D+00
      3  -0.322822D+00 -0.113208D+01  0.167122D-01  0.174678D+01  0.746798D+00
               326           327           328           329           330 
      1  -0.465919D+00  0.746798D+00  0.128897D+00  0.959453D+00  0.426955D+00
      2   0.243252D+01  0.108973D+01  0.959453D+00 -0.469122D+00  0.632332D-01
      3   0.108973D+01  0.199636D+01  0.426955D+00  0.632332D-01  0.373731D+00
               331           332           333 
      1   0.993849D+00 -0.422722D-01  0.573231D+00
      2  -0.422722D-01  0.147678D+01  0.120972D+01
      3   0.573231D+00  0.120972D+01  0.553235D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.418203D+00  0.227791D+01 -0.265920D+01  0.345152D+01  0.571756D+01
      2   0.112714D+01 -0.849794D+00  0.907299D+01 -0.135626D+01 -0.118390D+02
      3  -0.400737D+01 -0.101465D+02 -0.166719D+01 -0.654339D+01  0.437348D+01
                 6             7             8             9            10 
      1  -0.231766D+01 -0.549780D+00 -0.343419D+00 -0.130500D+01 -0.444610D+01
      2  -0.338512D+01  0.248689D+01  0.411162D+00  0.984790D+00  0.104656D+02
      3   0.840763D+01 -0.101982D+01  0.935559D+01  0.359804D+01  0.486192D+01
                11            12            13            14            15 
      1   0.407358D+01  0.176032D-01  0.383647D+01 -0.111261D+01 -0.729049D+01
      2  -0.302816D+01  0.395656D+01 -0.436010D+01  0.263772D+00  0.575364D+01
      3   0.659765D+01  0.683015D+01  0.977516D+01 -0.519480D+01 -0.568852D+01
                16            17            18            19            20 
      1  -0.110203D+01 -0.130544D+01 -0.242912D-01 -0.170323D+00 -0.999422D+00
      2   0.126075D+01  0.121654D+01 -0.116338D+01 -0.149059D+02 -0.877176D+01
      3   0.759211D+01 -0.579005D+01 -0.348232D+01 -0.175793D+02 -0.154246D+02
                21            22            23            24            25 
      1   0.661442D+01  0.777364D+01  0.217072D+02 -0.543455D+01  0.139891D+02
      2   0.178183D+01 -0.326422D+01  0.377706D+01 -0.509895D+01 -0.121523D+02
      3   0.607124D+01  0.651081D+01  0.215091D+02 -0.739821D+01  0.335829D+01
                26            27            28            29            30 
      1   0.186930D+02 -0.212448D+02 -0.152027D+00 -0.301420D+01  0.118459D-01
      2  -0.113656D+02  0.119196D+02 -0.252781D+01  0.123720D+00 -0.489921D+01
      3  -0.952872D+00 -0.806284D-01 -0.905879D-01  0.784957D+01 -0.529225D-02
                31            32            33            34            35 
      1  -0.115872D+01  0.206858D+00  0.598619D+01  0.567384D-02 -0.996690D+01
      2   0.685633D-02  0.507586D+00  0.114734D+00  0.107890D+02  0.158143D+00
      3  -0.992638D+01 -0.549062D-01  0.112099D+01  0.820122D-01  0.861758D+00
                36            37            38            39            40 
      1   0.114069D+00 -0.123643D+00 -0.160754D+01 -0.673042D+01  0.683946D+01
      2  -0.173008D+00 -0.142816D+02  0.960715D+01  0.232701D+01  0.383865D+01
      3  -0.994675D-01  0.170504D+02 -0.171133D+02 -0.641552D+01  0.463170D+01
                41            42            43            44            45 
      1  -0.217430D+02 -0.486400D+01 -0.136642D+02  0.198171D+02  0.217133D+02
      2   0.408200D+01  0.514716D+01 -0.109795D+02  0.109229D+02  0.108790D+02
      3  -0.208601D+02 -0.698217D+01 -0.345881D+01 -0.682689D+00  0.153762D+00
                46            47            48            49            50 
      1   0.525281D+01  0.407873D+01 -0.199123D+00  0.381495D+01  0.779383D+00
      2   0.105642D+02  0.243079D+01  0.368945D+01  0.369964D+01 -0.380702D-01
      3  -0.416063D+01  0.706754D+01 -0.708942D+01  0.101314D+02  0.442411D+01
                51            52            53            54            55 
      1  -0.753973D+01  0.109798D+01 -0.145204D+01 -0.471791D-01 -0.166085D+00
      2  -0.561418D+01  0.110037D+01 -0.122571D+01 -0.122083D+01  0.121576D+01
      3  -0.539014D+01 -0.777564D+01 -0.555589D+01  0.350900D+01  0.333069D+01
                56            57            58            59            60 
      1   0.204401D+01  0.293837D+01  0.321245D+01 -0.644086D+01 -0.230513D+01
      2   0.194349D+00  0.908747D+01  0.630652D+00 -0.116132D+02  0.309364D+01
      3  -0.104757D+02  0.205703D+01 -0.679313D+01 -0.371983D+01  0.833254D+01
                61            62            63            64            65 
      1   0.600975D+00 -0.367788D+00  0.134171D+01 -0.535924D+01 -0.960573D+01
      2   0.240502D+01 -0.466580D+00  0.929476D+00  0.203162D+02 -0.176251D+01
      3   0.147260D+01  0.926306D+01 -0.360993D+01  0.815698D+01  0.849555D+01
                66            67            68            69            70 
      1  -0.402208D+01 -0.184574D+02  0.323999D+01 -0.823219D+01 -0.209463D+01
      2   0.121205D+01  0.431680D+01  0.512598D+01  0.468770D+01 -0.277172D+02
      3   0.321331D+01  0.292651D+02 -0.358141D+01  0.908975D+01 -0.979453D+00
                71            72            73            74            75 
      1   0.220870D+01  0.123317D+00  0.502811D+01 -0.984384D+01  0.373211D+01
      2   0.323595D+01 -0.250307D+02  0.198691D+02  0.159432D+01  0.777225D+00
      3   0.390772D+01  0.837197D-01 -0.654681D+01  0.892318D+01 -0.285552D+01
                76            77            78            79            80 
      1  -0.189360D+02 -0.187989D+01 -0.855719D+01  0.103100D+01  0.202838D+01
      2  -0.407409D+01  0.539473D+01 -0.436559D+01 -0.279798D+02 -0.216458D+01
      3   0.296653D+02  0.209339D+01  0.916012D+01  0.105118D+01  0.381465D+01
                81            82            83            84            85 
      1  -0.120051D+01 -0.388056D+01  0.302122D+01  0.177177D+01  0.327302D+01
      2  -0.250168D+02 -0.147001D+02 -0.144477D+02  0.131368D+02 -0.475337D+01
      3  -0.777182D-01 -0.193470D+02 -0.225525D+02  0.141145D+02 -0.123622D+01
                86            87            88            89            90 
      1   0.164755D+02  0.188989D+01  0.883792D+01  0.239378D+02 -0.142321D+02
      2   0.867364D+00 -0.445890D+01 -0.385458D+01 -0.144868D+02  0.116807D+02
      3   0.137052D+02 -0.158569D+01  0.651000D+01 -0.187096D+01  0.305056D+01
                91            92            93            94            95 
      1   0.810611D+01  0.309381D+01  0.636524D+01  0.416955D+01 -0.102903D+02
      2  -0.202321D+01  0.889254D+00 -0.505434D-01 -0.885249D-01  0.231713D+01
      3  -0.610357D+01 -0.130304D+01 -0.638560D+01  0.437195D+01 -0.211153D+00
                96            97            98            99           100 
      1  -0.481610D+01  0.458910D+01 -0.287732D+01  0.185377D+01  0.128062D+01
      2  -0.418272D+00 -0.334686D+01  0.475980D+00 -0.344588D+00 -0.297431D+01
      3  -0.674686D+01 -0.107432D+02 -0.718853D+01 -0.535115D+01 -0.853318D+01
               101           102           103           104           105 
      1   0.183294D+01  0.301397D+01 -0.305773D+00  0.117849D+01 -0.102349D+01
      2   0.143759D+01  0.488288D+01 -0.199413D+01  0.184327D+01 -0.144524D+01
      3  -0.380368D+01 -0.344861D+01 -0.586256D+00 -0.571089D+00 -0.168146D+01
               106           107           108           109           110 
      1   0.209966D+01  0.102133D+01  0.135952D+01  0.140174D+01 -0.140123D+01
      2   0.211028D+01 -0.478625D+00  0.234466D+01  0.483686D+01  0.221446D+01
      3  -0.148955D+01 -0.267169D+01 -0.107271D+01  0.506663D+01  0.547376D+01
               111           112           113           114           115 
      1  -0.191775D+01 -0.337023D+00 -0.140196D+01 -0.297755D+01 -0.365951D+00
      2  -0.355077D+01  0.143940D+01  0.637596D+01 -0.612994D+01 -0.323996D+01
      3  -0.349774D+01  0.481492D+01  0.125546D+02 -0.619574D+01 -0.191504D+01
               116           117           118           119           120 
      1   0.593640D-01  0.220195D+01 -0.742299D+00 -0.227109D+00  0.207667D+01
      2  -0.484679D+01  0.591658D+01 -0.109759D+01  0.702314D+00  0.361139D+01
      3  -0.529498D+01  0.563402D+01  0.415284D+00 -0.378039D+01 -0.363757D-01
               121           122           123           124           125 
      1  -0.246627D+01  0.266585D+01 -0.249682D+01  0.125670D+01 -0.491972D+00
      2  -0.273320D+01 -0.724029D+00 -0.371733D+01  0.870400D+00 -0.284126D+01
      3  -0.604018D+00  0.920015D+01  0.379936D+01  0.160582D+01  0.248618D+01
               126           127           128           129           130 
      1  -0.136125D+01 -0.422492D+01 -0.166456D+01  0.269071D+01 -0.255670D+01
      2  -0.207956D+01 -0.211440D+01  0.256072D+00  0.370981D+01  0.937607D+00
      3   0.105341D+01 -0.742148D+01 -0.603730D+01  0.417674D+01 -0.635409D+01
               131           132           133           134           135 
      1  -0.573495D+01  0.365494D+01  0.261478D+01  0.430043D+01 -0.410771D+01
      2  -0.335046D+01  0.547317D+01  0.130434D+01  0.261881D+01 -0.467450D+01
      3  -0.110683D+02  0.575137D+01  0.387057D+01  0.426052D+01 -0.563384D+01
               136           137           138           139           140 
      1   0.578297D+00 -0.382145D+00 -0.201466D+01 -0.248657D+01 -0.258504D+01
      2  -0.101994D+01 -0.689128D+00  0.386310D+01  0.283949D+01 -0.699692D+00
      3  -0.588959D+00 -0.413774D+01  0.209152D+00 -0.100266D+01 -0.900462D+01
               141           142           143           144           145 
      1  -0.224664D+01 -0.122565D+01 -0.315518D+00  0.128648D+01  0.396309D+01
      2   0.365991D+01  0.103807D+01  0.281369D+01 -0.215967D+01 -0.237294D+01
      3   0.379267D+01 -0.149560D+01  0.253556D+01 -0.106081D+01  0.691640D+01
               146           147           148           149           150 
      1  -0.163482D+01 -0.236601D+01 -0.255781D+01  0.557776D+01  0.350468D+01
      2  -0.251795D+00  0.355464D+01 -0.894892D+00 -0.347179D+01 -0.576505D+01
      3  -0.594314D+01 -0.392315D+01 -0.626185D+01  0.112319D+02  0.591300D+01
               151           152           153           154           155 
      1  -0.235983D+01  0.429378D+01  0.389472D+01 -0.134446D+01  0.177349D+01
      2   0.125516D+01 -0.287566D+01 -0.487438D+01 -0.286605D+01 -0.129904D+01
      3  -0.368094D+01  0.443195D+01  0.563136D+01  0.831920D+01 -0.412595D+01
               156           157           158           159           160 
      1  -0.284058D+01 -0.235313D+00 -0.120064D+01 -0.836886D+00 -0.194499D+01
      2   0.507086D+01  0.223902D+01  0.188954D+01  0.126468D+01  0.220112D+01
      3   0.336714D+01 -0.883876D+00  0.844400D+00 -0.183018D+01  0.135230D+01
               161           162           163           164           165 
      1   0.113762D+01 -0.126457D+01 -0.126869D+01 -0.137262D+01  0.163775D+01
      2   0.323821D+00  0.241878D+01  0.475674D+01 -0.208379D+01 -0.334952D+01
      3  -0.274665D+01  0.107896D+01 -0.465328D+01  0.514798D+01  0.322892D+01
               166           167           168           169           170 
      1  -0.269392D+00  0.175910D+01 -0.278529D+01  0.235309D+00  0.256517D+00
      2  -0.138011D+01  0.647045D+01  0.640207D+01 -0.305138D+01  0.497752D+01
      3   0.451479D+01 -0.130044D+02 -0.634943D+01  0.169677D+01 -0.538533D+01
               171           172           173           174           175 
      1  -0.195130D+01 -0.182959D+01  0.280895D+01 -0.614771D-01  0.450005D+01
      2   0.600273D+01 -0.142057D+01  0.171579D+01  0.200520D+01  0.535598D+01
      3  -0.563008D+01  0.235815D+01 -0.479734D+01  0.160569D+00 -0.440555D+01
               176           177           178           179           180 
      1  -0.661746D+01  0.498572D+00  0.174305D+01 -0.426379D+00 -0.151375D+00
      2  -0.144205D+01  0.290082D+00  0.369221D+01 -0.108467D+01  0.805756D+00
      3   0.915739D+01 -0.174204D+01 -0.126417D+01  0.173255D+01  0.219022D+00
               181           182           183           184           185 
      1  -0.197080D+01 -0.754641D+00 -0.914649D+00 -0.965666D-01 -0.556209D+00
      2  -0.632718D+00  0.602701D+00 -0.369662D+01 -0.695004D+00  0.190025D+01
      3   0.148838D+01 -0.299077D-01  0.462400D+00  0.801466D+00  0.544970D+00
               186           187           188           189           190 
      1   0.715347D+00  0.873350D+00  0.264404D+01 -0.585800D+00  0.782704D+00
      2  -0.471519D+00  0.219316D+00 -0.215534D+01  0.151405D+02 -0.275626D+01
      3  -0.160405D+01 -0.116158D+01 -0.228840D+01  0.159459D+01 -0.335801D+01
               191           192           193           194           195 
      1   0.494417D+01 -0.116375D+01  0.113833D+01 -0.683431D+01 -0.117377D+01
      2   0.207933D+01  0.103642D+00  0.257326D+01 -0.309611D+01  0.131264D+01
      3   0.503084D+01 -0.177226D+01  0.522258D+01 -0.854826D+01  0.135720D+01
               196           197           198           199           200 
      1  -0.875127D+00 -0.362724D+01  0.190543D+00  0.155676D+00 -0.175250D+01
      2  -0.206879D+00  0.609753D+00 -0.570345D+00 -0.153522D+01  0.511435D+00
      3   0.570928D+00 -0.170977D+01 -0.431186D+00 -0.107740D+01 -0.115075D+01
               201           202           203           204           205 
      1   0.149263D+01 -0.129477D+01 -0.548113D+00  0.311603D+01 -0.295918D+00
      2  -0.117029D+01 -0.557704D+00 -0.101130D+01 -0.682553D+00 -0.284470D+01
      3  -0.108390D+01 -0.271501D+00 -0.963514D+00  0.132586D+01 -0.254454D+01
               206           207           208           209           210 
      1  -0.811546D+00  0.123909D+02 -0.622654D+00  0.517697D+01  0.109967D+01
      2   0.128275D+01 -0.873076D+01 -0.296834D+01 -0.231780D+01  0.963012D-02
      3   0.200485D+00 -0.135216D+01  0.388399D+01  0.522064D+01  0.182208D+01
               211           212           213           214           215 
      1   0.134899D+01  0.641976D+01 -0.128558D+01  0.705661D+00 -0.370458D+01
      2  -0.263615D+01 -0.316699D+01 -0.125665D+01 -0.248000D+00 -0.431439D+00
      3   0.543207D+01  0.809413D+01  0.126531D+01 -0.660203D+00 -0.168856D+01
               216           217           218           219           220 
      1  -0.212571D+00 -0.360561D+00 -0.173768D+01 -0.140691D+01 -0.122054D+01
      2  -0.562457D+00 -0.152221D+01 -0.413821D+00 -0.108199D+01  0.640241D+00
      3   0.428212D+00  0.101626D+01 -0.114426D+01  0.114718D+01 -0.276670D+00
               221           222           223           224           225 
      1   0.635294D+00  0.318203D+01  0.131266D+00 -0.897862D+00 -0.127544D+02
      2  -0.105121D+01  0.582931D+00 -0.289922D+01 -0.113298D+01 -0.817636D+01
      3   0.103227D+01  0.127576D+01  0.255090D+01  0.981168D-01  0.136966D+01
               226           227           228           229           230 
      1   0.205177D+01  0.288971D+01  0.147200D+00  0.434332D+01  0.661626D+01
      2  -0.179697D+01 -0.186229D+01  0.200744D+01 -0.550186D+01 -0.151682D+01
      3  -0.271774D+01 -0.501589D+01 -0.210179D+00 -0.451730D+01 -0.934139D+01
               231           232           233           234           235 
      1   0.337485D+00 -0.158159D+01 -0.376285D+00  0.204953D+00  0.188831D+01
      2  -0.348112D+00  0.380666D+01  0.963885D+00  0.798624D+00 -0.701585D+00
      3  -0.151010D+01  0.130849D+01  0.181888D+01 -0.264559D+00 -0.144517D+01
               236           237           238           239           240 
      1  -0.825462D+00  0.784315D+00 -0.119086D+00  0.665010D+00  0.703059D+00
      2  -0.451848D+00 -0.370663D+01  0.819370D+00  0.186658D+01  0.597577D+00
      3   0.107667D-01 -0.528037D+00  0.838514D+00 -0.568726D+00 -0.158667D+01
               241           242           243           244           245 
      1  -0.746827D+00  0.276064D+01  0.123178D+01 -0.781129D+01  0.390256D+01
      2   0.358984D+00  0.202183D+01  0.150944D+02 -0.170034D+01 -0.862029D+00
      3   0.106529D+01 -0.233633D+01 -0.158583D+01  0.621842D+01 -0.160302D+01
               246           247           248           249           250 
      1  -0.655282D+01  0.492293D+01  0.995780D+01 -0.453795D+01 -0.484862D+01
      2   0.258289D+00  0.501005D-01  0.188767D+01  0.606565D+00 -0.315857D+01
      3   0.605952D+01  0.416728D+01  0.267356D+00 -0.695182D+01  0.104077D+02
               251           252           253           254           255 
      1  -0.263926D+01 -0.185748D+01  0.348457D+01  0.283658D+01 -0.102926D+01
      2  -0.191332D+00 -0.248686D+00 -0.139452D+02  0.150461D+02  0.133860D+02
      3  -0.771490D+01  0.533712D+01  0.181450D+02 -0.240827D+02 -0.141715D+02
               256           257           258           259           260 
      1   0.259017D+01 -0.168982D+02  0.205064D+01 -0.786364D+01  0.248828D+02
      2   0.523599D+01  0.685309D+00  0.372017D+01 -0.290456D+01  0.135020D+02
      3  -0.258698D+01 -0.127118D+02 -0.941027D+00 -0.653186D+01 -0.164165D+01
               261           262           263           264           265 
      1   0.146738D+02  0.508888D+01 -0.300859D+01 -0.368864D+01 -0.176917D+01
      2   0.110024D+02  0.691313D+01  0.667070D+00 -0.141445D+01 -0.243691D+01
      3  -0.307891D+01  0.118953D+02 -0.264221D+01 -0.526479D+01 -0.353535D+01
               266           267           268           269           270 
      1   0.245370D+01  0.674633D-01 -0.300254D+01  0.134533D+01  0.266758D+01
      2  -0.116176D+01  0.913753D+00 -0.665651D+00  0.267366D+00  0.411422D+00
      3   0.148826D+01  0.187836D+01 -0.226512D+01  0.205076D+00  0.288557D+01
               271           272           273           274           275 
      1   0.986297D+00  0.270912D+00  0.388157D+01 -0.674986D+00 -0.250752D-02
      2  -0.109054D+01  0.345562D+01 -0.488923D+01  0.152766D+01  0.936982D+00
      3  -0.333917D+00  0.292381D+01 -0.318299D+01  0.200213D+01  0.117882D+01
               276           277           278           279           280 
      1  -0.188740D+00  0.802357D+00  0.349297D+00  0.883430D+01 -0.657874D+01
      2  -0.439136D+00 -0.260470D+01  0.200193D+01 -0.764104D+01  0.243236D+01
      3   0.114132D+00 -0.124602D+01  0.194933D+01 -0.231007D+01  0.137796D+02
               281           282           283           284           285 
      1  -0.128138D+01 -0.530810D+01 -0.451183D+00 -0.112711D+01 -0.914209D+00
      2   0.533407D+00  0.346589D+01  0.113249D+00  0.548540D+00  0.878506D-01
      3  -0.809220D+00  0.573673D+01 -0.750857D-01  0.453937D+01 -0.283500D+00
               286           287           288           289           290 
      1  -0.607881D+01 -0.894747D+00 -0.855967D+01  0.970537D-01  0.289092D+00
      2   0.128183D+01  0.131179D+01  0.328660D+01  0.193102D+00  0.371013D+00
      3   0.923145D+01 -0.406640D+00  0.482954D+01  0.190982D+01  0.351758D+01
               291           292           293           294           295 
      1  -0.167292D+01  0.169474D+01  0.394698D+01 -0.690587D+01 -0.146921D+01
      2   0.723016D+00  0.263673D+00 -0.161857D+01  0.162937D+01 -0.820249D+00
      3  -0.102760D+01  0.506868D+01 -0.259294D+01  0.112747D+00 -0.942808D+00
               296           297           298           299           300 
      1  -0.190761D+01  0.679293D+01 -0.278907D-01  0.766257D-01  0.137932D+01
      2   0.150661D+01 -0.171482D+01  0.158343D+00 -0.453327D+00  0.585141D+00
      3   0.345370D+01  0.292679D+00 -0.151343D+01  0.371279D+01  0.104679D+01
               301           302           303           304           305 
      1   0.150533D+01 -0.410108D+01 -0.703959D+01  0.133851D+01 -0.204610D+01
      2  -0.406716D+00 -0.140168D+01 -0.134794D+01 -0.947459D+00 -0.138515D+01
      3   0.524323D+01  0.217905D+01  0.603579D-01  0.110966D+01  0.342931D+01
               306           307           308           309           310 
      1  -0.687001D+01  0.655595D+01 -0.166366D+01  0.536918D+01 -0.754196D+00
      2  -0.141444D+01  0.210246D+01 -0.577929D+00  0.321172D+01 -0.175276D+00
      3  -0.284711D+00 -0.137514D+02 -0.214697D+00 -0.567827D+01  0.427684D+00
               311           312           313           314           315 
      1   0.104826D+01 -0.121612D+01  0.603520D+01 -0.133892D+01  0.864945D+01
      2   0.482622D+00 -0.201201D+00  0.943945D+00 -0.133188D+01  0.289254D+01
      3  -0.424415D+01  0.722489D-01 -0.918236D+01  0.197048D+00 -0.476456D+01
               316           317           318           319           320 
      1  -0.499107D+01 -0.277492D+01  0.362794D+01 -0.155902D+01 -0.206129D+01
      2   0.723331D+01 -0.933365D+00 -0.161186D+01  0.220733D+01 -0.119210D+01
      3  -0.121341D+02 -0.187266D+01  0.535938D+01 -0.302781D+01 -0.752068D+00
               321           322           323           324           325 
      1  -0.128797D+00  0.298231D+01  0.114558D+01 -0.264985D+01 -0.104925D+01
      2  -0.848367D+00 -0.796302D+00 -0.264235D+00  0.524708D+00 -0.124217D+01
      3   0.166127D+01  0.221042D+01  0.335777D-01 -0.287918D+01  0.552480D+00
               326           327           328           329           330 
      1   0.160831D+00 -0.410395D+01 -0.696842D+00  0.863827D-01  0.179176D-01
      2  -0.337793D+01 -0.467880D+01 -0.142647D+01  0.117203D+01  0.656389D+00
      3   0.284809D+01  0.318255D+01  0.193536D+01 -0.142615D+01 -0.340039D-01
               331           332           333 
      1  -0.902140D+00  0.295928D+00 -0.914662D+01
      2  -0.263856D+01 -0.189227D+01 -0.722613D+01
      3   0.131023D+01  0.189085D+01  0.230061D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.412055D+02 -0.677860D+01 -0.234649D+02 -0.151743D+01  0.181829D+02
      2   0.264340D+02  0.858968D+01  0.131560D+02  0.533271D+01 -0.935728D+01
      3   0.147715D+02 -0.181108D+01  0.103089D+02 -0.381527D+01 -0.882561D+01
      4  -0.161670D+02  0.869388D+01 -0.825965D+01  0.115832D+02  0.588794D+01
      5  -0.264968D+02 -0.194435D+01 -0.571512D+01  0.382603D+01 -0.804345D+01
      6  -0.728720D+01  0.544561D+01 -0.302178D-01  0.421277D+01 -0.891644D+01
                 6             7             8             9            10 
      1   0.746915D+01 -0.191931D+02  0.568248D+01 -0.646828D+00  0.104793D+02
      2  -0.949036D+01  0.110367D+02 -0.780496D+01 -0.341115D+01 -0.685346D+01
      3   0.202121D+01  0.815641D+01  0.212248D+01  0.405798D+01 -0.362589D+01
      4  -0.786261D+01 -0.468093D+01 -0.640339D+01 -0.382212D+01 -0.232282D+00
      5  -0.436843D+01 -0.637202D+01 -0.344784D+01  0.371668D+01  0.107126D+02
      6  -0.936420D+01  0.937547D-01 -0.729009D+01  0.331111D+00  0.803974D+01
                11            12            13            14            15 
      1   0.266865D+01  0.132652D+02  0.991792D+00 -0.161453D+02 -0.289887D+01
      2  -0.109204D+02 -0.548649D+01 -0.113290D+02  0.367811D+01  0.982628D+01
      3   0.825177D+01 -0.777870D+01  0.103372D+02  0.124672D+02 -0.692741D+01
      4  -0.214023D+02  0.651896D+01 -0.267182D+02 -0.232010D+02  0.179569D+02
      5  -0.315239D+00 -0.916534D+01  0.162246D+01  0.204521D+02  0.372480D+01
      6   0.462448D+01 -0.813601D+00  0.996753D+01  0.117055D+02 -0.325870D+01
                16            17            18            19            20 
      1   0.985707D+01 -0.414081D+01 -0.533562D+01  0.193445D+00  0.260956D+01
      2  -0.331136D+01  0.938555D+01  0.214360D+01 -0.400546D+01  0.217971D+01
      3  -0.654570D+01 -0.524474D+01  0.319201D+01  0.381202D+01 -0.478927D+01
      4   0.493583D+01  0.139649D+02  0.631399D+00  0.616662D+01  0.134878D+02
      5  -0.785233D+01  0.218748D+01 -0.301485D+01 -0.365503D+01 -0.246540D+01
      6  -0.150452D+01 -0.404208D+01 -0.322776D+01 -0.769452D+01 -0.620560D+01
                21            22            23            24            25 
      1  -0.685797D+01 -0.153249D+01  0.137252D+02 -0.449494D+00 -0.165892D+01
      2   0.431922D+01  0.407576D+01 -0.165568D+02  0.220599D+01  0.192702D+01
      3   0.253875D+01 -0.254327D+01  0.283167D+01 -0.175650D+01 -0.268097D+00
      4  -0.875409D+01  0.866111D+01  0.807444D+01 -0.492352D+01 -0.478494D+01
      5   0.518463D+01 -0.108113D+01 -0.654738D+01  0.261252D+01  0.501722D+01
      6   0.201962D+01 -0.655822D+01 -0.762861D+00  0.576150D+01  0.853799D+00
                26            27            28            29            30 
      1  -0.921164D+00  0.920095D+01 -0.109629D+02  0.546647D-01  0.539855D+01
      2   0.863722D+00  0.434973D+01  0.265723D+01 -0.681076D-01 -0.644891D+01
      3   0.574416D-01 -0.135507D+02  0.830566D+01  0.134430D-01  0.105037D+01
      4  -0.211370D+01  0.132426D+01  0.904576D-02 -0.611215D+01 -0.405197D+00
      5   0.401162D+00  0.519928D+01  0.366430D+01 -0.261064D+00 -0.296199D+01
      6   0.407576D+01  0.502684D+01 -0.281103D+00 -0.399396D+01  0.396723D-02
                31            32            33            34            35 
      1  -0.256276D-01  0.287384D+01 -0.432621D+00  0.848152D+01 -0.594803D+00
      2   0.341714D-01 -0.102295D+02  0.484163D+00 -0.917711D+01  0.610847D+00
      3  -0.854383D-02  0.735568D+01 -0.515421D-01  0.695598D+00 -0.160442D-01
      4  -0.713792D+01  0.254001D-01 -0.697962D+01 -0.636230D+00 -0.940663D+01
      5  -0.259272D+00 -0.442522D+01  0.931065D-02  0.415920D+01  0.165126D-02
      6  -0.409640D+01  0.248456D+00 -0.291414D+01  0.804896D-02  0.331880D+01
                36            37            38            39            40 
      1   0.644727D+00 -0.297893D+00 -0.873968D+00 -0.605555D+01  0.288070D+01
      2   0.788999D+00 -0.380691D+01 -0.388624D+01  0.346215D+01 -0.535888D+01
      3  -0.143373D+01  0.410480D+01  0.476020D+01  0.259340D+01  0.247818D+01
      4   0.101817D-01 -0.540135D+01  0.132882D+02  0.897935D+01  0.818800D+01
      5   0.711483D+00 -0.320630D+01  0.205184D+01  0.498117D+01  0.620280D+00
      6  -0.468536D-01  0.726330D+01 -0.656230D+01 -0.200308D+01 -0.686037D+01
                41            42            43            44            45 
      1   0.129031D+02  0.275782D+00 -0.119829D+01  0.789846D+00  0.908497D+01
      2  -0.154322D+02 -0.188159D+01  0.148987D+01 -0.708667D+00  0.445534D+01
      3   0.252919D+01  0.160581D+01 -0.291581D+00 -0.811791D-01 -0.135403D+02
      4  -0.103857D+02 -0.542401D+01  0.481865D+01 -0.238196D+01 -0.151489D+01
      5  -0.662940D+01 -0.255150D+01  0.494213D+01 -0.407266D+00  0.496894D+01
      6   0.169624D+01  0.597773D+01 -0.888850D+00  0.412250D+01 -0.527902D+01
                46            47            48            49            50 
      1   0.102386D+02 -0.555610D+01  0.128044D+02 -0.437226D+01 -0.136254D+02
      2  -0.579645D+01  0.130894D+02 -0.538390D+01  0.139626D+02  0.409457D+00
      3  -0.444213D+01 -0.753327D+01 -0.742050D+01 -0.959031D+01  0.132160D+02
      4  -0.250111D+01 -0.197212D+02 -0.651547D+01 -0.248576D+02  0.260085D+02
      5   0.102796D+02  0.976266D+00 -0.930699D+01 -0.704161D+00  0.199062D+02
      6  -0.785826D+01  0.443191D+01  0.108847D+01  0.979135D+01 -0.132283D+02
                51            52            53            54            55 
      1   0.390099D+01  0.951266D+01  0.491688D+01 -0.539662D+01 -0.391807D+02
      2  -0.111733D+02 -0.328013D+01 -0.104250D+02  0.220391D+01  0.242139D+02
      3   0.727228D+01 -0.623253D+01  0.550811D+01  0.319271D+01  0.149668D+02
      4   0.176218D+02 -0.486115D+01  0.135748D+02 -0.338315D+00  0.197416D+02
      5  -0.351447D+01 -0.782109D+01 -0.207569D+01 -0.293016D+01 -0.261353D+02
      6  -0.312715D+01  0.167196D+01 -0.401739D+01  0.340607D+01  0.878900D+01
                56            57            58            59            60 
      1   0.992632D+01 -0.230006D+02  0.500749D+01  0.170370D+02 -0.711792D+01
      2  -0.107245D+02  0.128117D+02 -0.773114D+01 -0.807197D+01  0.957204D+01
      3   0.798204D+00  0.101889D+02  0.272365D+01 -0.896498D+01 -0.245412D+01
      4   0.688592D+01  0.943122D+01  0.997349D+01 -0.769113D+01 -0.752489D+01
      5   0.291951D+01 -0.548822D+01 -0.281938D+01 -0.762979D+01  0.423599D+01
      6   0.541940D+01 -0.186944D+00  0.435361D+01  0.886155D+01 -0.956485D+01
                61            62            63            64            65 
      1  -0.189138D+02 -0.543259D+01 -0.273477D+00  0.103326D+02 -0.583251D+01
      2   0.108917D+02  0.787371D+01 -0.378774D+01 -0.967429D+01  0.543778D+01
      3   0.802215D+01 -0.244112D+01  0.406121D+01 -0.658315D+00  0.394726D+00
      4   0.563248D+01 -0.600355D+01  0.369262D+01 -0.182987D+02 -0.563611D+01
      5  -0.617915D+01  0.341502D+01  0.373167D+01  0.109000D+02 -0.483368D+01
      6  -0.161220D+00 -0.745866D+01 -0.487853D+00 -0.326369D+01 -0.440977D+01
                66            67            68            69            70 
      1   0.626123D+01 -0.100508D+02 -0.902205D+01 -0.347773D+01  0.366118D+01
      2  -0.628200D+01  0.732502D+01  0.193075D+01  0.145336D+01 -0.332964D+01
      3   0.207690D-01  0.272573D+01  0.709130D+01  0.202437D+01 -0.331546D+00
      4  -0.809748D+01  0.150311D+00 -0.350843D+01  0.661379D+01 -0.392860D+01
      5   0.801847D+01 -0.537693D+01  0.195229D+01 -0.132689D+01  0.505380D+01
      6  -0.140799D+01 -0.245389D+01 -0.174197D+01  0.376001D+01 -0.915819D+00
                71            72            73            74            75 
      1  -0.129313D+01  0.758103D+01  0.126015D+02  0.446505D+01  0.714044D+01
      2   0.265938D+01  0.689382D+01 -0.117774D+02 -0.437754D+01 -0.704654D+01
      3  -0.136625D+01 -0.144748D+02 -0.824140D+00 -0.875163D-01 -0.938917D-01
      4   0.246954D+01 -0.399315D+01  0.171224D+02 -0.662466D+01  0.781236D+01
      5  -0.156762D+01 -0.716934D+01  0.115196D+02  0.425153D+01  0.816316D+01
      6   0.394211D+01  0.732187D+00  0.251017D+01 -0.462503D+01  0.123918D+01
                76            77            78            79            80 
      1   0.908434D+01 -0.944195D+01  0.370646D+01  0.413593D+01  0.133187D+01
      2  -0.669582D+01  0.224524D+01 -0.166130D+01 -0.382341D+01 -0.267820D+01
      3  -0.238852D+01  0.719671D+01 -0.204516D+01 -0.312519D+00  0.134633D+01
      4  -0.124809D+01  0.422450D+01  0.603513D+01  0.373461D+01  0.216467D+01
      5   0.482842D+01  0.156009D+01  0.111004D+01  0.524904D+01  0.150171D+01
      6  -0.272486D+01  0.198770D+01  0.366642D+01  0.885016D+00  0.385398D+01
                81            82            83            84            85 
      1   0.796869D+01 -0.628512D+01 -0.296230D+01  0.970242D+01 -0.575748D+01
      2   0.653216D+01  0.920218D+01  0.315440D+01 -0.279248D+01  0.933506D+01
      3  -0.145009D+02 -0.291706D+01 -0.192095D+00 -0.690994D+01 -0.357758D+01
      4   0.395070D+01 -0.620789D+01  0.232636D+01  0.522617D+01  0.246674D+01
      5  -0.717825D+01  0.878112D+01 -0.140175D+01 -0.166694D+01 -0.136074D+01
      6  -0.422795D+00  0.524173D+01 -0.422249D+01  0.480574D+01 -0.326258D+01
                86            87            88            89            90 
      1  -0.165288D+02  0.850862D+01  0.652660D+01  0.458295D+01  0.283431D+01
      2   0.165583D+02 -0.161309D+02  0.209728D+00 -0.828230D+01  0.411954D+01
      3  -0.295133D-01  0.762231D+01 -0.673632D+01  0.369934D+01 -0.695385D+01
      4   0.452136D+01 -0.340717D+01  0.581712D+01 -0.288988D+01  0.281157D+01
      5  -0.716506D+01  0.164984D+01 -0.474190D+00  0.591325D+00 -0.211203D+01
      6  -0.122964D+02  0.520260D+01  0.376241D+01  0.247094D+01  0.598456D+01
                91            92            93            94            95 
      1  -0.215950D+01  0.264801D+01 -0.657514D+01  0.626210D+01  0.154434D+02
      2   0.185581D+00 -0.449261D+01  0.418775D+01 -0.116436D+02 -0.205635D+02
      3   0.197392D+01  0.184460D+01  0.238739D+01  0.538149D+01  0.512008D+01
      4  -0.632074D+01 -0.311067D+01 -0.123079D+02 -0.450263D+01 -0.107021D+02
      5  -0.569161D+01 -0.137247D+01 -0.334408D+01 -0.977220D+00  0.676604D+01
      6  -0.124271D+02  0.336442D+01 -0.853307D+01  0.396449D+01  0.285085D+02
                96            97            98            99           100 
      1  -0.151436D+02 -0.930163D+01 -0.198725D+02  0.280861D+01  0.686261D+02
      2   0.287116D+02  0.748799D+01  0.326193D+02 -0.662219D+01 -0.370477D+02
      3  -0.135680D+02  0.181363D+01 -0.127468D+02  0.381358D+01 -0.315784D+02
      4   0.541304D+01 -0.135360D+02  0.861854D+01 -0.112712D+02 -0.307832D+02
      5  -0.632437D+00 -0.487294D+01 -0.362806D+01 -0.745811D-01  0.311420D+02
      6  -0.959805D+01 -0.111814D+02 -0.128091D+02  0.193576D+01 -0.931080D+01
               101           102           103           104           105 
      1  -0.935841D+01  0.186228D+02  0.197955D+01  0.545759D+01  0.223162D+01
      2   0.246663D+01 -0.126011D+02 -0.453649D+01 -0.180674D+01 -0.338265D+01
      3   0.689178D+01 -0.602161D+01  0.255694D+01 -0.365085D+01  0.115102D+01
      4   0.132513D+02 -0.867681D+01  0.100280D+02 -0.502847D+01  0.407105D+01
      5  -0.485749D+01  0.181442D+02  0.764844D+00  0.515277D+01 -0.475498D+00
      6   0.327999D+01 -0.635531D+01  0.278115D+01 -0.297326D+01  0.356622D+01
               106           107           108           109           110 
      1   0.143879D+02 -0.710763D+00  0.109269D+02 -0.305838D+01 -0.908178D+01
      2  -0.116420D+02 -0.591308D+00 -0.890617D+01  0.289557D+01  0.849594D+01
      3  -0.274592D+01  0.130207D+01 -0.202075D+01  0.162806D+00  0.585841D+00
      4  -0.797621D+01  0.445544D+01 -0.692814D+01 -0.115060D+00 -0.100573D+01
      5   0.203851D+02 -0.404050D+01  0.130267D+02  0.296427D+01 -0.760777D+00
      6  -0.706037D+01  0.434500D+01 -0.459024D+01 -0.512711D+01 -0.559926D+01
               111           112           113           114           115 
      1   0.865138D+01 -0.542081D+01 -0.187294D+02  0.958237D+01  0.589254D+01
      2  -0.458327D+01  0.352229D+01  0.237441D+02 -0.875232D+01 -0.261123D+01
      3  -0.406811D+01  0.189852D+01 -0.501476D+01 -0.830045D+00 -0.328131D+01
      4  -0.211675D+01  0.458947D+01 -0.141896D+02  0.673111D+01 -0.463475D+01
      5  -0.855559D+00 -0.217476D+01  0.678991D+01 -0.859609D+01  0.309703D+01
      6   0.511932D+01 -0.504256D+00 -0.176852D+02  0.140255D+02  0.491511D+00
               116           117           118           119           120 
      1   0.762073D+01 -0.972017D+01  0.144082D+02 -0.933910D+01 -0.511845D+01
      2  -0.599047D+01  0.479286D+01 -0.316604D+00 -0.313823D+01  0.128903D+01
      3  -0.163027D+01  0.492731D+01 -0.140916D+02  0.124773D+02  0.382942D+01
      4   0.693837D+01 -0.523065D+01 -0.240832D+02  0.228778D+02  0.756705D+01
      5  -0.652213D+01  0.782513D+01 -0.107515D+02  0.710389D+01  0.866303D+01
      6   0.127917D+02 -0.130282D+02  0.714220D+01 -0.558725D+01 -0.458789D+01
               121           122           123           124           125 
      1  -0.873804D+01 -0.218188D+00 -0.156214D+01 -0.369864D+01 -0.164705D+01
      2  -0.834603D+01  0.237667D+02  0.644015D+01  0.116902D+01  0.364892D+01
      3   0.170841D+02 -0.235485D+02 -0.487801D+01  0.252962D+01 -0.200187D+01
      4   0.322289D+02 -0.443626D+02 -0.147957D+02  0.855626D+01 -0.115710D+02
      5   0.981865D+01 -0.148943D+02 -0.101194D+02  0.114030D+02 -0.106133D+02
      6  -0.999258D+01  0.175680D+02  0.113699D+02 -0.777925D+01  0.118568D+02
               126           127           128           129           130 
      1   0.898315D+00  0.219651D+02  0.751075D+01 -0.964160D+01  0.155337D+02
      2   0.153641D+01 -0.158067D+02 -0.680794D+01  0.818562D+01 -0.130775D+02
      3  -0.243473D+01 -0.615837D+01 -0.702810D+00  0.145598D+01 -0.245623D+01
      4  -0.114788D+02  0.193434D+01  0.659170D+01 -0.105203D+00  0.634374D+01
      5  -0.870528D+01 -0.148650D+02 -0.393962D+01  0.125290D+02 -0.882901D+01
      6   0.836700D+01  0.877191D+00 -0.180384D+01 -0.200645D+01 -0.263705D+01
               131           132           133           134           135 
      1   0.843179D+01 -0.505614D+01 -0.965053D+01 -0.152815D+01  0.649058D+01
      2  -0.792551D+01  0.836352D+01  0.912188D+01  0.488340D+01 -0.106136D+02
      3  -0.506283D+00 -0.330738D+01  0.528653D+00 -0.335524D+01  0.412300D+01
      4   0.884332D+01 -0.702210D+01  0.163599D+01 -0.604221D+01  0.269995D+01
      5  -0.975257D+01  0.114686D+02  0.131963D+02  0.560865D+01 -0.146497D+02
      6  -0.194249D+01  0.328144D+00 -0.147266D+01  0.234590D+01  0.119719D+01
               136           137           138           139           140 
      1   0.175175D+02  0.106998D+02 -0.574544D+01  0.109001D+02  0.271917D+01
      2  -0.210646D+01  0.211624D+01  0.170499D+01  0.651640D+01  0.195084D+02
      3  -0.154110D+02 -0.128160D+02  0.404045D+01 -0.174165D+02 -0.222275D+02
      4   0.257565D+02  0.233288D+02 -0.792076D+01  0.329217D+02  0.428081D+02
      5  -0.118454D+02 -0.751984D+01  0.931473D+01 -0.104139D+02 -0.148731D+02
      6  -0.732464D+01 -0.569096D+01  0.468738D+01 -0.998429D+01 -0.162478D+02
               141           142           143           144           145 
      1   0.506141D+00 -0.443208D+01  0.801790D+00  0.190016D+01  0.207641D+02
      2  -0.521526D+01  0.178808D+01 -0.271321D+01  0.531182D+00 -0.147480D+02
      3   0.470912D+01  0.264401D+01  0.191142D+01 -0.243134D+01 -0.601608D+01
      4  -0.147627D+02 -0.886267D+01 -0.114134D+02  0.114878D+02 -0.294684D+01
      5   0.102203D+02  0.122374D+02  0.106273D+02 -0.910984D+01 -0.143486D+02
      6   0.107289D+02  0.778672D+01  0.110690D+02 -0.801549D+01 -0.444552D+00
               146           147           148           149           150 
      1  -0.754187D+01 -0.942456D+01 -0.156028D+02  0.863859D+01  0.483875D+01
      2   0.658064D+01  0.780252D+01  0.128588D+02 -0.795533D+01 -0.805786D+01
      3   0.961224D+00  0.162204D+01  0.274400D+01 -0.683263D+00  0.321911D+01
      4   0.700062D+01  0.545560D+00  0.742872D+01 -0.975990D+01 -0.759452D+01
      5   0.407512D+01  0.120706D+02  0.893595D+01 -0.101782D+02 -0.119448D+02
      6  -0.188737D+01  0.147849D+01 -0.294382D+01  0.241973D+01  0.765848D+00
               151           152           153           154           155 
      1  -0.979770D+01  0.139849D+01  0.622207D+01  0.712966D+02  0.766843D+01
      2   0.907689D+01 -0.473409D+01 -0.103396D+02 -0.393893D+02 -0.199227D+01
      3   0.720808D+00  0.333560D+01  0.411750D+01 -0.319073D+02 -0.567616D+01
      4  -0.111380D+01 -0.625093D+01 -0.344472D+01  0.270739D+02  0.117302D+02
      5   0.130092D+02 -0.606832D+01 -0.147029D+02  0.316539D+02  0.387440D+01
      6   0.998567D+00  0.254174D+01 -0.571887D+00  0.821370D+01  0.283810D+01
               156           157           158           159           160 
      1   0.192123D+02 -0.402304D+01  0.557600D+01 -0.272240D+01  0.151092D+02
      2  -0.131433D+02  0.530900D+01 -0.231036D+01  0.361034D+01 -0.122808D+02
      3  -0.606901D+01 -0.128597D+01 -0.326563D+01 -0.887939D+00 -0.282839D+01
      4   0.749370D+01  0.923247D+01  0.367159D+01  0.397693D+01  0.706451D+01
      5   0.184182D+02 -0.181491D+01  0.514139D+01 -0.182297D+00  0.208645D+02
      6   0.572370D+01  0.256164D+01  0.248887D+01  0.329322D+01  0.636766D+01
               161           162           163           164           165 
      1   0.472358D+00  0.115034D+02 -0.243184D+01  0.831189D+01  0.840823D+01
      2   0.730611D+00 -0.948506D+01  0.239171D+01 -0.750884D+01 -0.438204D+01
      3  -0.120297D+01 -0.201831D+01  0.401208D-01 -0.803048D+00 -0.402619D+01
      4   0.416507D+01  0.605565D+01  0.496211D+00 -0.108948D+01  0.186968D+01
      5   0.333670D+01  0.132488D+02  0.330450D+01  0.711186D+00 -0.659834D+00
      6   0.390165D+01  0.404009D+01  0.475212D+01 -0.506633D+01 -0.446151D+01
               166           167           168           169           170 
      1   0.519581D+01 -0.180605D+02 -0.933998D+01  0.598785D+01 -0.726818D+01
      2  -0.306950D+01  0.229718D+02  0.834556D+01 -0.277728D+01  0.550187D+01
      3  -0.212631D+01 -0.491123D+01  0.994420D+00 -0.321056D+01  0.176631D+01
      4   0.486370D+01  0.158338D+02  0.741502D+01  0.457216D+01  0.730825D+01
      5   0.233630D+01  0.741269D+01  0.921579D+01  0.337595D+01  0.692020D+01
      6  -0.677761D-01  0.176251D+02  0.138367D+02 -0.960868D-01  0.125084D+02
               171           172           173           174           175 
      1  -0.923894D+01  0.121917D+02 -0.591749D+01  0.264947D+00 -0.111437D+02
      2   0.432218D+01 -0.438970D+01  0.209356D+01 -0.672156D+00  0.599740D+01
      3   0.491676D+01 -0.780200D+01  0.382394D+01  0.407209D+00  0.514634D+01
      4   0.583081D+01 -0.107717D+02  0.110942D+02 -0.233837D+01  0.899844D+01
      5   0.837943D+01  0.318486D+01 -0.288709D+01  0.293139D+01 -0.816747D+01
      6   0.126713D+02 -0.296725D+01  0.357502D+01 -0.143350D+01  0.413809D+01
               176           177           178           179           180 
      1   0.486197D+01 -0.222964D+01 -0.594603D+01  0.116338D+01 -0.923220D+00
      2   0.519447D-01  0.349610D+01  0.297516D+01  0.622756D+00 -0.729663D+00
      3  -0.491391D+01 -0.126647D+01  0.297087D+01 -0.178613D+01  0.165288D+01
      4  -0.170688D+02  0.181885D+01 -0.205656D+01 -0.198884D+01 -0.376449D+01
      5   0.322149D+01 -0.553061D+01  0.730046D-01 -0.298223D+01  0.587969D+00
      6  -0.669114D+01  0.185834D+01 -0.122654D+01  0.762141D+00 -0.171779D+01
               181           182           183           184           185 
      1  -0.379499D+01 -0.217069D+00  0.305798D+01  0.187149D+00 -0.112165D+01
      2   0.114469D+01 -0.425863D+00  0.156405D+01 -0.103120D+00 -0.200073D+01
      3   0.265030D+01  0.642932D+00 -0.462203D+01 -0.840288D-01  0.312238D+01
      4  -0.284030D+01  0.470675D+00 -0.550602D+00  0.303437D+01 -0.228373D+00
      5  -0.124415D+01 -0.451700D+00  0.878631D+00 -0.426514D+00  0.296177D+01
      6   0.189292D+00  0.737024D+00 -0.931170D-01  0.163815D+01 -0.291017D+00
               186           187           188           189           190 
      1  -0.146324D-01  0.260054D+01  0.184342D+01 -0.165867D+02 -0.403705D+01
      2   0.698159D+00 -0.600456D+01  0.163423D+01 -0.185222D+02  0.570529D+01
      3  -0.683527D+00  0.340402D+01 -0.347765D+01  0.351089D+02 -0.166824D+01
      4   0.328658D+01  0.121241D+01  0.418409D+01 -0.332969D+01 -0.462046D+01
      5  -0.649134D+00  0.826353D+01 -0.218022D+01  0.224599D+02  0.302121D+01
      6   0.522977D+01  0.291493D+00  0.347531D+01  0.744143D+00  0.347241D+00
               191           192           193           194           195 
      1   0.643741D+01 -0.168938D+01  0.660787D+01 -0.196812D+02  0.434875D+01
      2  -0.810621D+01  0.106004D+01 -0.640989D+01  0.304485D+02 -0.353965D+01
      3   0.166880D+01  0.629334D+00 -0.197976D+00 -0.107673D+02 -0.809106D+00
      4   0.519394D+00  0.184988D+01  0.564760D+01  0.183353D+01 -0.478768D+00
      5  -0.362666D+00 -0.888985D+00 -0.272470D+01  0.184328D+01  0.942472D+00
      6   0.637655D+01 -0.305865D+01  0.152368D+01 -0.113961D+02  0.610312D+01
               196           197           198           199           200 
      1   0.151319D+01  0.859497D+00 -0.425897D+01 -0.614523D+00  0.132540D+01
      2  -0.127329D+01  0.264987D+01  0.246776D+01 -0.244246D+01 -0.103099D+01
      3  -0.239900D+00 -0.350937D+01  0.179121D+01  0.305698D+01 -0.294410D+00
      4   0.316898D+01  0.364116D+01 -0.163399D+01  0.194488D+00 -0.747014D+00
      5  -0.104213D+01 -0.167590D+00  0.734836D+00 -0.187531D+01  0.955952D-01
      6  -0.212397D+01  0.252435D+01 -0.171579D+01 -0.527185D+00  0.207820D+01
               201           202           203           204           205 
      1  -0.322396D+01 -0.118524D+01 -0.381162D+01  0.426471D+00 -0.292254D+01
      2   0.997987D+00  0.103913D+01  0.121820D+01 -0.422871D+01  0.255984D+01
      3   0.222597D+01  0.146104D+00  0.259342D+01  0.380224D+01  0.362695D+00
      4  -0.100255D+01 -0.201097D+01 -0.324235D+01  0.125490D+00 -0.383776D+01
      5   0.380181D+01  0.901183D+00  0.468244D+00 -0.203994D+01  0.412280D+01
      6  -0.169022D+01  0.188653D+01 -0.653062D+00  0.234705D+01  0.932650D+00
               206           207           208           209           210 
      1   0.465187D+01 -0.200714D+02 -0.419033D+01 -0.704989D+01 -0.202926D+01
      2  -0.409607D+00 -0.141307D+02  0.594207D+01  0.913003D+01  0.136889D+01
      3  -0.424226D+01  0.342020D+02 -0.175174D+01 -0.208014D+01  0.660371D+00
      4  -0.289886D+01 -0.413681D+00  0.538638D+01  0.955882D+00 -0.172971D+01
      5   0.307994D+01 -0.139040D+02  0.317829D+01  0.610096D+00 -0.779378D+00
      6   0.741422D+01 -0.180200D+02 -0.121405D+00  0.683933D+01  0.335912D+01
               211           212           213           214           215 
      1  -0.675862D+01 -0.191563D+02 -0.426400D+01  0.122016D+01 -0.560438D+00
      2   0.696810D+01  0.298620D+02  0.347678D+01 -0.113680D+01 -0.296517D+01
      3  -0.209481D+00 -0.107057D+02  0.787219D+00 -0.833668D-01  0.352561D+01
      4   0.597302D+01  0.627882D-01 -0.562968D-01 -0.312568D+01  0.367477D+01
      5   0.274468D+01  0.220009D+01 -0.639836D+00 -0.942334D+00  0.311005D+00
      6   0.189290D+01  0.108782D+02  0.597047D+01  0.226579D+01  0.241038D+01
               216           217           218           219           220 
      1  -0.409576D+01 -0.664670D+00 -0.151647D+01 -0.315116D+01  0.876145D+00
      2   0.231886D+01 -0.240199D+01  0.124398D+01  0.108200D+01 -0.705607D+00
      3   0.177690D+01  0.306666D+01  0.272494D+00  0.206916D+01 -0.170537D+00
      4   0.191657D+01 -0.384600D+00 -0.475457D+00  0.120259D+01 -0.192372D+01
      5   0.813769D+00 -0.187561D+01  0.103451D+00  0.395504D+01 -0.702844D+00
      6   0.165944D+01  0.791907D+00  0.208086D+01  0.162922D+01  0.191332D+01
               221           222           223           224           225 
      1  -0.350312D+01 -0.291959D+00 -0.279770D+01 -0.480728D+01 -0.200351D+02
      2   0.917449D+00  0.414925D+01  0.223107D+01  0.550327D+00 -0.141350D+02
      3   0.258568D+01 -0.385729D+01  0.566631D+00  0.425696D+01  0.341701D+02
      4   0.355010D+01  0.279256D+00  0.395134D+01 -0.284654D+01  0.657707D+00
      5   0.523939D+00  0.194673D+01  0.394252D+01 -0.294164D+01 -0.130697D+02
      6   0.479368D+00  0.220809D+01 -0.775314D+00  0.761495D+01  0.186544D+02
               226           227           228           229           230 
      1   0.138221D+02  0.656883D+01  0.544276D+00  0.116717D+02  0.508278D+01
      2  -0.564890D+01 -0.293324D+01 -0.984611D+00 -0.677070D+01 -0.292128D+00
      3  -0.817321D+01 -0.363559D+01  0.440335D+00 -0.490097D+01 -0.479065D+01
      4   0.108411D+02  0.109126D+02  0.235847D+01  0.842108D+01  0.161261D+02
      5   0.377457D+01  0.304571D+01  0.320875D+01  0.840249D+01  0.278694D+01
      6   0.313615D+01  0.359799D+01  0.137070D+01  0.399656D+01  0.606367D+01
               231           232           233           234           235 
      1   0.252895D+01 -0.583424D+01 -0.969279D+00 -0.644737D+00 -0.351797D+01
      2  -0.388960D+01  0.282088D+01 -0.750144D+00 -0.978335D+00  0.891090D+00
      3   0.136065D+01  0.301335D+01  0.171942D+01  0.162307D+01  0.262688D+01
      4   0.143845D+01  0.238094D+01 -0.208357D+01  0.376535D+01  0.317560D+01
      5   0.557003D+01  0.233080D+00  0.306062D+01  0.636312D+00 -0.120154D+01
      6   0.163849D+01  0.122689D+01  0.635246D+00  0.167874D+01 -0.380643D-01
               236           237           238           239           240 
      1   0.352707D+00  0.311187D+01  0.177162D+00 -0.111859D+01  0.157404D+00
      2   0.270357D+00  0.147774D+01 -0.276788D+00 -0.203183D+01 -0.103920D+01
      3  -0.623064D+00 -0.458961D+01  0.996256D-01  0.315043D+01  0.881795D+00
      4   0.352222D+00  0.619858D+00  0.290373D+01  0.426245D-01  0.322014D+01
      5   0.656729D+00  0.916664D+00  0.670956D+00  0.292308D+01  0.829296D+00
      6   0.727657D+00  0.276401D+00  0.162553D+01  0.646355D-01  0.518589D+01
               241           242           243           244           245 
      1   0.240881D+01 -0.158387D+01 -0.162950D+02 -0.198550D+01 -0.208071D+01
      2  -0.596120D+01 -0.173734D+01 -0.187985D+02  0.315838D+00  0.375616D+01
      3   0.355239D+01  0.332121D+01  0.350935D+02  0.166966D+01 -0.167545D+01
      4  -0.139685D+01  0.423855D+01  0.322225D+01  0.611496D+01 -0.261530D+01
      5   0.833153D+01  0.196509D+01  0.223802D+02 -0.498949D+01  0.201893D+01
      6  -0.500883D+00  0.340118D+01 -0.170782D+01  0.129022D+02  0.139866D+01
               246           247           248           249           250 
      1  -0.474042D+01 -0.589037D+01  0.165919D+02  0.157315D+02 -0.716469D+01
      2   0.173284D+01  0.111580D+02 -0.219178D+02 -0.291792D+02  0.478918D+01
      3   0.300758D+01 -0.526759D+01  0.532585D+01  0.134478D+02  0.237552D+01
      4   0.128821D+02 -0.354224D+01  0.937355D+01  0.290456D+01  0.144923D+02
      5  -0.293702D+01  0.158631D+01  0.530684D+01  0.298245D+00 -0.421241D+01
      6   0.822157D+01  0.211275D+01 -0.290098D+02 -0.996220D+01  0.107933D+02
               251           252           253           254           255 
      1   0.209098D+02  0.380645D+01 -0.531599D+01  0.274650D+01  0.885118D+01
      2  -0.335911D+02 -0.763215D+01  0.806284D+01 -0.307896D+01 -0.160984D+01
      3   0.126813D+02  0.382570D+01 -0.274686D+01  0.332454D+00 -0.724133D+01
      4   0.567100D+01  0.108050D+02  0.705499D+01  0.168594D+01 -0.587484D+01
      5   0.324509D+01 -0.150702D+00  0.862537D+01  0.548527D+00 -0.194719D+01
      6  -0.134579D+02 -0.194476D+01 -0.595047D+01 -0.351471D+01 -0.451008D+01
               256           257           258           259           260 
      1   0.540404D+01 -0.172994D+02 -0.919303D+01  0.579263D+01 -0.509141D+01
      2  -0.912582D+01  0.174595D+02  0.164986D+02  0.108757D+01  0.843558D+01
      3   0.372178D+01 -0.160041D+00 -0.730561D+01 -0.688020D+01 -0.334418D+01
      4   0.135878D+01 -0.311726D+01 -0.204903D+01 -0.619101D+01 -0.203550D+01
      5   0.558855D+00 -0.670010D+01 -0.133751D+01 -0.646176D+00 -0.428549D+00
      6  -0.251077D+01  0.129202D+02  0.547412D+01 -0.364708D+01  0.266476D+01
               261           262           263           264           265 
      1   0.258924D+01  0.170518D+02 -0.279179D+01 -0.542402D+01 -0.418001D+00
      2   0.433494D+01 -0.149573D+02  0.572318D+01  0.766360D+01  0.223378D+01
      3  -0.692418D+01 -0.209445D+01 -0.293139D+01 -0.223958D+01 -0.181578D+01
      4  -0.274489D+01  0.147782D+02  0.622242D+01 -0.712007D+01  0.129046D+01
      5  -0.237134D+01 -0.173086D+02 -0.269670D+01  0.107173D+02  0.218378D+01
      6  -0.588228D+01 -0.689102D+01 -0.366368D+01  0.622052D+01 -0.200531D+00
               266           267           268           269           270 
      1   0.452372D+01 -0.662831D+00 -0.322634D+01 -0.718572D+00  0.152309D+01
      2  -0.322824D+01 -0.251446D+00  0.657841D+01  0.177675D+01 -0.709467D+01
      3  -0.129547D+01  0.914276D+00 -0.335207D+01 -0.105818D+01  0.557159D+01
      4   0.639153D-01  0.403895D+00 -0.280120D+01 -0.193662D+00  0.314474D+01
      5  -0.165200D+00 -0.120731D+01  0.781485D+01  0.102072D+00 -0.721317D+01
      6   0.169592D+01 -0.336512D+00  0.329463D+01  0.116889D+01 -0.480025D+01
               271           272           273           274           275 
      1  -0.246984D+00  0.618747D+01 -0.727247D+01  0.184155D+01 -0.173570D+01
      2  -0.430260D+01 -0.630505D+01 -0.166176D+01 -0.195701D+01 -0.712407D+00
      3   0.454959D+01  0.117572D+00  0.893422D+01  0.115456D+00  0.244811D+01
      4  -0.369605D+01 -0.899217D+00 -0.328579D+01 -0.147261D+00 -0.213822D+01
      5   0.184544D+01  0.296793D+00  0.332788D+01 -0.560741D-01  0.223182D+01
      6  -0.236929D+01  0.554345D+01 -0.830884D+01  0.245550D+01 -0.236702D+01
               276           277           278           279           280 
      1   0.159539D+01 -0.236331D+01  0.605879D+01 -0.149441D+02  0.121180D+02
      2  -0.566913D+00 -0.114938D+01 -0.214468D+01 -0.121864D+02 -0.276716D+01
      3  -0.102847D+01  0.351269D+01 -0.391410D+01  0.271305D+02 -0.935086D+01
      4   0.130192D+01 -0.326663D+01 -0.875053D+00 -0.303032D+01  0.250115D+02
      5  -0.988486D+00  0.377509D+01  0.346768D+00 -0.128389D+01  0.751037D+01
      6   0.490586D+01 -0.158527D+01  0.751180D+01 -0.198786D+02  0.959410D+01
               281           282           283           284           285 
      1  -0.253194D+01  0.448556D+01 -0.327485D+01 -0.123460D+01 -0.805839D+00
      2   0.101567D+02 -0.140715D+01  0.730056D+01  0.518723D+01  0.109558D+01
      3  -0.762471D+01 -0.307841D+01 -0.402571D+01 -0.395264D+01 -0.289739D+00
      4   0.117383D+02  0.951567D+01  0.624398D+01  0.848264D+01  0.193205D+01
      5   0.170142D+01  0.630693D+01  0.687404D+00  0.180762D+01  0.709608D+00
      6   0.295726D+01  0.851668D+01  0.120723D+01  0.173246D+01  0.337504D+01
               286           287           288           289           290 
      1   0.506518D+01 -0.107593D+01  0.662966D+00 -0.329276D+01 -0.708488D+00
      2  -0.223135D+01  0.446724D+01  0.410436D+00  0.827857D+01  0.541867D+01
      3  -0.283383D+01 -0.339132D+01 -0.107340D+01 -0.498581D+01 -0.471019D+01
      4   0.151452D+02  0.606948D+01  0.100737D+02  0.774304D+01  0.149477D+02
      5   0.764140D+01  0.301793D+01  0.762237D+01 -0.146056D+01 -0.326203D+01
      6   0.104497D+02  0.773348D+01  0.131770D+02 -0.454604D+01 -0.418209D+01
               291           292           293           294           295 
      1   0.969112D+00 -0.439493D+01 -0.355666D+02  0.127859D+02  0.394302D+01
      2  -0.221650D+01  0.107342D+02  0.631821D+02 -0.200974D+02 -0.594882D+01
      3   0.124739D+01 -0.633928D+01 -0.276155D+02  0.731151D+01  0.200580D+01
      4  -0.475617D+01  0.121725D+02  0.190959D+02 -0.724967D+01 -0.574578D+01
      5   0.356119D+01 -0.191138D+01 -0.460622D+01  0.300569D+01  0.403562D+01
      6   0.349557D+01 -0.592103D+01 -0.289760D+02  0.179259D+02  0.728767D+01
               296           297           298           299           300 
      1   0.193530D+02 -0.128237D+02 -0.369545D+01  0.532576D+00  0.778878D+00
      2  -0.281191D+02  0.152537D+02  0.823611D+01 -0.421247D+01 -0.169726D+01
      3   0.876611D+01 -0.242995D+01 -0.454066D+01  0.367990D+01  0.918385D+00
      4  -0.105313D+02  0.804498D+01 -0.605931D+01  0.142232D+02  0.433766D+01
      5   0.507386D+01 -0.448847D+01 -0.105571D+01  0.295454D+01  0.329084D+01
      6   0.258613D+02 -0.209728D+02  0.420268D+01 -0.320613D+01 -0.283429D+01
               301           302           303           304           305 
      1   0.397097D+01 -0.373176D+02 -0.134062D+02  0.352251D+01 -0.203863D+02
      2  -0.928974D+01  0.653769D+02  0.207647D+02 -0.513823D+01  0.292549D+02
      3   0.531877D+01 -0.280593D+02 -0.735851D+01  0.161573D+01 -0.886859D+01
      4   0.110685D+02 -0.157920D+02 -0.596120D+01  0.492003D+01 -0.861714D+01
      5   0.154687D+01 -0.351784D+01 -0.235456D+01  0.352771D+01 -0.408940D+01
      6  -0.489310D+01  0.295460D+02  0.181809D+02 -0.629003D+01  0.263667D+02
               306           307           308           309           310 
      1  -0.134822D+02  0.101360D+02  0.286695D+01  0.361868D+01  0.320627D+01
      2   0.159227D+02 -0.128654D+01 -0.106164D+02 -0.525934D+00 -0.740043D+01
      3  -0.244047D+01 -0.884951D+01  0.774947D+01 -0.309275D+01  0.419416D+01
      4  -0.676843D+01 -0.248087D+02  0.118189D+02 -0.966366D+01  0.645089D+01
      5  -0.355532D+01  0.694927D+01 -0.187106D+01  0.586921D+01 -0.908971D+00
      6   0.211472D+02 -0.969598D+01  0.343023D+01 -0.860808D+01  0.160908D+01
               311           312           313           314           315 
      1  -0.248896D+01  0.721145D+00  0.372981D+01  0.128204D+01 -0.288604D+00
      2   0.706731D+01 -0.108494D+01 -0.101547D+01 -0.469964D+01  0.139131D+01
      3  -0.457836D+01  0.363794D+00 -0.271434D+01  0.341760D+01 -0.110271D+01
      4  -0.902394D+01  0.224912D+01 -0.151602D+02  0.644267D+01 -0.100483D+02
      5   0.173418D+01 -0.859992D+00  0.701614D+01 -0.305016D+01  0.700014D+01
      6  -0.192452D+01  0.381392D+01 -0.103968D+02  0.838491D+01 -0.134736D+02
               316           317           318           319           320 
      1   0.159470D+02  0.287494D+01 -0.473354D+01  0.237147D+00  0.443389D+01
      2  -0.140171D+02 -0.581095D+01  0.701908D+01 -0.199672D+01 -0.290625D+01
      3  -0.192991D+01  0.293601D+01 -0.228553D+01  0.175957D+01 -0.152765D+01
      4  -0.158581D+02  0.617822D+01  0.768760D+01  0.174043D+01 -0.130593D+01
      5  -0.169874D+02  0.323569D+01  0.104910D+02 -0.151256D+01 -0.351026D+00
      6   0.748915D+01 -0.405923D+01 -0.670428D+01 -0.478193D+00 -0.128628D+01
               321           322           323           324           325 
      1   0.908832D+00 -0.289221D+01  0.886491D+00  0.122503D+01 -0.302132D+00
      2  -0.991684D-01  0.621416D+01 -0.206954D+01 -0.679656D+01 -0.423895D+01
      3  -0.809664D+00 -0.332195D+01  0.118305D+01  0.557152D+01  0.454108D+01
      4   0.386675D-01  0.326863D+01 -0.381803D+00 -0.351859D+01  0.349344D+01
      5   0.726404D+00  0.765046D+01 -0.408281D+00 -0.699625D+01  0.196013D+01
      6  -0.857089D-01 -0.361465D+01  0.130869D+01  0.512473D+01  0.264386D+01
               326           327           328           329           330 
      1  -0.632041D+01 -0.703079D+01 -0.190766D+01 -0.117647D+01 -0.115357D+01
      2   0.653536D+01 -0.194501D+01  0.211788D+01 -0.128409D+01  0.526395D+00
      3  -0.214950D+00  0.897579D+01 -0.210221D+00  0.246055D+01  0.627175D+00
      4  -0.392064D+00  0.358078D+01 -0.375985D-01  0.221362D+01  0.123566D+01
      5  -0.306869D-01  0.374217D+01  0.186416D+00  0.233616D+01  0.104352D+01
      6   0.553387D+01  0.837146D+01  0.243546D+01  0.189729D+01  0.448113D+01
               331           332           333 
      1  -0.234156D+01 -0.600176D+01 -0.146565D+02
      2  -0.134813D+01  0.224707D+01 -0.124460D+02
      3   0.368970D+01  0.375469D+01  0.271025D+02
      4   0.328944D+01 -0.652437D+00  0.314913D+01
      5   0.383441D+01 -0.177023D+00 -0.386096D+00
      6   0.175698D+01  0.744338D+01  0.199036D+02
 Leave Link  716 at Fri Jul 23 19:56:50 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151837D+03 -0.224111D-02 -0.224096D-01
      2  -0.224111D-02  0.150751D+03 -0.237557D-02
      3  -0.224096D-01 -0.237557D-02  0.122769D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.175572D+01  0.101549D+00  0.166221D+01
      2   0.557747D-01  0.228665D+01 -0.245971D-01
      3   0.235249D+01 -0.113161D+00 -0.382006D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.616199D+01 -0.952233D+02 -0.206811D+00
      2   0.628239D+01  0.101207D+03  0.189609D+00
      3  -0.120408D+00 -0.598388D+01  0.172021D-01
      4  -0.925983D+02  0.634492D+01 -0.470656D+01
      5  -0.174767D+00  0.130175D+01 -0.209517D+00
      6  -0.910002D+01  0.154594D+00 -0.892085D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.782821D+01  0.746836D+00  0.393596D+01 -0.103574D+01 -0.287594D+01
      2   0.746836D+00 -0.247253D+01  0.282529D-01 -0.287594D+01  0.641995D+00
      3   0.393596D+01  0.282529D-01  0.533061D+00 -0.724166D+00  0.213581D+01
                 6             7             8             9            10 
      1  -0.724166D+00  0.319419D+01 -0.266698D+00  0.659114D+00 -0.123339D+01
      2   0.213581D+01 -0.266698D+00  0.158837D+01  0.113912D+01  0.774323D+00
      3   0.984969D+00  0.659114D+00  0.113912D+01 -0.542469D+00 -0.236133D+01
                11            12            13            14            15 
      1   0.774323D+00 -0.236133D+01  0.210230D+01  0.529536D+01 -0.891945D+00
      2   0.404492D+01 -0.123178D+00  0.529536D+01  0.270866D+01 -0.347901D+01
      3  -0.123178D+00  0.889516D+00 -0.891945D+00 -0.347901D+01 -0.240888D+00
                16            17            18            19            20 
      1  -0.180411D+01 -0.469515D+00  0.115003D+01 -0.235904D+01 -0.379601D+01
      2  -0.469515D+00 -0.275225D+01 -0.169221D+00 -0.379601D+01 -0.605737D+01
      3   0.115003D+01 -0.169221D+00  0.623034D+00  0.328085D+01  0.235367D+01
                21            22            23            24            25 
      1   0.328085D+01 -0.183516D+01 -0.398828D+01  0.124682D+01  0.189809D+01
      2   0.235367D+01 -0.398828D+01 -0.292035D+01  0.267341D+01  0.112163D+01
      3  -0.130694D+01  0.124682D+01  0.267341D+01 -0.158449D+01 -0.105644D+01
                26            27            28            29            30 
      1   0.112163D+01 -0.105644D+01  0.130788D+00  0.159552D+01 -0.253277D-02
      2   0.287966D+01 -0.179100D+01  0.159552D+01 -0.120441D+00 -0.162350D+01
      3  -0.179100D+01 -0.149181D+01 -0.253277D-02 -0.162350D+01  0.148465D-01
                31            32            33            34            35 
      1   0.154394D+01 -0.117465D+00  0.194470D+01  0.462287D-02 -0.537291D-01
      2  -0.117465D+00 -0.196677D+01  0.150219D-01 -0.537291D-01  0.758847D-02
      3   0.194470D+01  0.150219D-01  0.164967D+00  0.177069D-01  0.865872D-01
                36            37            38            39            40 
      1   0.177069D-01  0.196745D+01 -0.344706D+01 -0.311941D+01 -0.157065D+01
      2   0.865872D-01 -0.344706D+01  0.624701D+01  0.237559D+01  0.409354D+01
      3   0.254630D-02 -0.311941D+01  0.237559D+01  0.123989D+01  0.126693D+01
                41            42            43            44            45 
      1   0.409354D+01  0.126693D+01 -0.180593D+01  0.107112D+01  0.972390D+00
      2  -0.358690D+01 -0.285068D+01  0.107112D+01 -0.299163D+01 -0.183254D+01
      3  -0.285068D+01 -0.164165D+01  0.972390D+00 -0.183254D+01  0.149187D+01
                46            47            48            49            50 
      1   0.138719D+01  0.316772D+00  0.231397D+01  0.156956D+01 -0.525544D+01
      2   0.316772D+00 -0.398516D+01 -0.666653D-01 -0.525544D+01  0.335029D+01
      3   0.231397D+01 -0.666653D-01 -0.905102D+00 -0.832708D+00  0.352060D+01
                51            52            53            54            55 
      1  -0.832708D+00  0.174219D+01 -0.422688D+00 -0.115147D+01 -0.776586D+01
      2   0.352060D+01 -0.422688D+00  0.280258D+01 -0.129051D+00  0.130280D+01
      3  -0.211171D+00 -0.115147D+01 -0.129051D+00 -0.634784D+00 -0.395409D+01
                56            57            58            59            60 
      1   0.130280D+01 -0.395409D+01 -0.431790D+00  0.286665D+01 -0.642842D+00
      2   0.241101D+01  0.983336D-01  0.286665D+01  0.306753D+00 -0.210926D+01
      3   0.983336D-01 -0.480367D+00 -0.642842D+00 -0.210926D+01  0.101149D+01
                61            62            63            64            65 
      1  -0.319299D+01 -0.204959D+00 -0.601315D+00  0.945794D+01 -0.132854D+01
      2  -0.204959D+00 -0.155892D+01  0.116961D+01 -0.132854D+01 -0.126272D+01
      3  -0.601315D+00  0.116961D+01  0.547908D+00  0.470028D+01 -0.541509D+00
                66            67            68            69            70 
      1   0.470028D+01 -0.418544D+01 -0.518154D+00 -0.175638D+01  0.379530D+01
      2  -0.541509D+00 -0.518154D+00 -0.433596D+00  0.165700D+01  0.394581D-01
      3   0.225832D+01 -0.175638D+01  0.165700D+01 -0.617673D+00  0.220606D+01
                71            72            73            74            75 
      1   0.394581D-01  0.220606D+01 -0.974613D+01 -0.847889D+00 -0.479736D+01
      2   0.117953D+01 -0.174984D+00 -0.847889D+00  0.132299D+01 -0.407422D+00
      3  -0.174984D+00 -0.142513D+01 -0.479736D+01 -0.407422D+00 -0.228800D+01
                76            77            78            79            80 
      1  -0.369200D+01  0.724537D+00 -0.160704D+01 -0.380863D+01  0.146247D+00
      2   0.724537D+00 -0.509077D+00 -0.155935D+01  0.146247D+00 -0.119165D+01
      3  -0.160704D+01 -0.155935D+01 -0.507862D+00 -0.222094D+01 -0.760758D-01
                81            82            83            84            85 
      1  -0.222094D+01 -0.251731D+00  0.163683D+01  0.800890D+00  0.255687D+01
      2  -0.760758D-01  0.163683D+01  0.171826D+01 -0.112141D+01  0.420213D+01
      3   0.141780D+01  0.800890D+00 -0.112141D+01  0.134868D+01 -0.180775D+01
                86            87            88            89            90 
      1   0.420213D+01 -0.180775D+01  0.198044D+00 -0.102337D+01  0.210821D+01
      2   0.811446D+01 -0.497151D+01 -0.102337D+01 -0.305395D+01  0.973594D+00
      3  -0.497151D+01  0.123662D+01  0.210821D+01  0.973594D+00  0.488071D+00
                91            92            93            94            95 
      1  -0.117284D+01 -0.439001D+00 -0.230449D+01 -0.778669D+00 -0.194345D+01
      2  -0.439001D+00 -0.607411D+00  0.545434D+00 -0.194345D+01 -0.393878D+01
      3  -0.230449D+01  0.545434D+00 -0.152915D+01  0.538965D+00  0.443959D+01
                96            97            98            99           100 
      1   0.538965D+00 -0.287335D+01  0.115914D+01 -0.204514D+01  0.106628D+02
      2   0.443959D+01  0.115914D+01  0.602629D+01 -0.185703D+01 -0.207213D+01
      3  -0.920427D+00 -0.204514D+01 -0.185703D+01  0.195943D+00  0.313192D+01
               101           102           103           104           105 
      1  -0.207213D+01  0.313192D+01  0.183298D+00  0.995601D+00  0.326232D+00
      2   0.138272D+01 -0.515725D+00  0.995601D+00 -0.781378D+00  0.685254D+00
      3  -0.515725D+00  0.212160D+01  0.326232D+00  0.685254D+00 -0.181884D+00
               106           107           108           109           110 
      1   0.295780D+01 -0.554620D+00  0.243071D+01 -0.480176D+00 -0.786710D+00
      2  -0.554620D+00  0.628222D+00 -0.726572D+00 -0.786710D+00 -0.140969D+01
      3   0.243071D+01 -0.726572D+00  0.157263D+01  0.982575D+00  0.504118D+00
               111           112           113           114           115 
      1   0.982575D+00 -0.994180D+00 -0.201244D+00  0.898904D-01  0.122813D+01
      2   0.504118D+00 -0.201244D+00 -0.435105D+01  0.206887D+01 -0.227117D+00
      3  -0.862375D+00  0.898904D-01  0.206887D+01 -0.213937D+01  0.649953D-02
               116           117           118           119           120 
      1  -0.227117D+00  0.649953D-02  0.354608D+01 -0.245491D+01 -0.116905D+01
      2   0.190903D+01 -0.174777D+01 -0.245491D+01  0.257466D+01  0.562320D+00
      3  -0.174777D+01  0.220378D+01 -0.116905D+01  0.562320D+00  0.105277D+01
               121           122           123           124           125 
      1  -0.385633D+01  0.442819D+01  0.135364D+01 -0.142614D+01  0.114968D+01
      2   0.442819D+01 -0.682168D+01 -0.237894D+01  0.114968D+01 -0.187622D+01
      3   0.135364D+01 -0.237894D+01 -0.168141D+01  0.163394D+01 -0.171995D+01
               126           127           128           129           130 
      1   0.163394D+01  0.308668D+01  0.969610D+00 -0.161478D+01  0.214195D+01
      2  -0.171995D+01  0.969610D+00  0.109286D+01 -0.435216D+00  0.135750D+01
      3  -0.135866D+01 -0.161478D+01 -0.435216D+00  0.153996D+01 -0.795691D+00
               131           132           133           134           135 
      1   0.135750D+01 -0.795691D+00 -0.197006D+01 -0.138946D+00  0.153222D+01
      2   0.200293D+01 -0.136121D+01 -0.138946D+00 -0.116574D+01  0.768681D+00
      3  -0.136121D+01  0.167133D+01  0.153222D+01  0.768681D+00 -0.209100D+01
               136           137           138           139           140 
      1  -0.394768D+01 -0.259525D+01  0.125484D+01 -0.407227D+01 -0.442901D+01
      2  -0.259525D+01 -0.263398D+01  0.613829D+00 -0.442901D+01 -0.632058D+01
      3   0.125484D+01  0.613829D+00 -0.112619D+01  0.140389D+01  0.229285D+01
               141           142           143           144           145 
      1   0.140389D+01  0.153590D+01  0.117176D+01 -0.171153D+01 -0.290888D+01
      2   0.229285D+01  0.117176D+01  0.177798D+01 -0.165096D+01  0.998881D+00
      3  -0.163496D+01 -0.171153D+01 -0.165096D+01  0.136616D+01  0.156357D+01
               146           147           148           149           150 
      1   0.998881D+00  0.156357D+01  0.216450D+01 -0.142234D+01 -0.804113D+00
      2  -0.110383D+01 -0.444311D+00 -0.142234D+01  0.209006D+01  0.141061D+01
      3  -0.444311D+00 -0.146130D+01 -0.804113D+00  0.141061D+01  0.172995D+01
               151           152           153           154           155 
      1   0.197363D+01 -0.169198D+00 -0.149565D+01 -0.107991D+02 -0.170949D+01
      2  -0.169198D+00  0.117942D+01  0.834080D+00 -0.170949D+01 -0.124919D+01
      3  -0.149565D+01  0.834080D+00  0.209396D+01 -0.313561D+01 -0.411920D+00
               156           157           158           159           160 
      1  -0.313561D+01  0.582137D+00 -0.951954D+00  0.435639D+00 -0.301373D+01
      2  -0.411920D+00 -0.951954D+00 -0.628344D+00 -0.681489D+00 -0.458269D+00
      3  -0.212819D+01  0.435639D+00 -0.681489D+00 -0.872736D-01 -0.246376D+01
               161           162           163           164           165 
      1  -0.458269D+00 -0.246376D+01  0.375351D+00 -0.741269D+00 -0.958834D+00
      2  -0.588525D+00 -0.621698D+00 -0.741269D+00  0.128574D+01  0.453872D+00
      3  -0.621698D+00 -0.157722D+01 -0.958834D+00  0.453872D+00  0.764742D+00
               166           167           168           169           170 
      1  -0.100809D+01  0.902618D-01  0.434977D-01 -0.125182D+01 -0.253783D+00
      2   0.902618D-01 -0.442629D+01 -0.209167D+01 -0.253783D+00 -0.188977D+01
      3   0.434977D-01 -0.209167D+01 -0.217218D+01 -0.812488D-01 -0.174510D+01
               171           172           173           174           175 
      1  -0.812488D-01 -0.224775D+01  0.169520D+01  0.148639D+00  0.351757D+01
      2  -0.174510D+01  0.169520D+01 -0.228570D+01  0.388291D+00 -0.138700D+01
      3  -0.220342D+01  0.148639D+00  0.388291D+00 -0.394983D+00  0.140024D+01
               176           177           178           179           180 
      1  -0.138700D+01  0.140024D+01  0.176769D+01  0.486058D+00  0.318580D+00
      2   0.318225D+01 -0.211907D+00  0.486058D+00  0.642312D-01  0.677610D+00
      3  -0.211907D+00  0.117620D+01  0.318580D+00  0.677610D+00 -0.164502D+00
               181           182           183           184           185 
      1   0.162494D+01  0.379496D+00  0.277063D+00 -0.858462D-01 -0.669387D+00
      2   0.379496D+00 -0.593661D+00  0.523953D-01 -0.669387D+00  0.108394D+00
      3   0.277063D+00  0.523953D-01  0.722567D+00  0.193135D-01 -0.782446D+00
               186           187           188           189           190 
      1   0.193135D-01 -0.184078D+01 -0.216882D+00 -0.133109D+01  0.148421D+01
      2  -0.782446D+00 -0.216882D+00 -0.100596D+01  0.627601D+00  0.411075D-01
      3   0.131496D+00 -0.133109D+01  0.627601D+00 -0.701399D+01 -0.691333D+00
               191           192           193           194           195 
      1   0.411075D-01 -0.691333D+00 -0.172383D+01  0.852082D+00 -0.805997D-01
      2   0.211850D+01 -0.106949D+01  0.852082D+00 -0.579608D+01  0.873763D+00
      3  -0.106949D+01  0.742941D+00 -0.805997D-01  0.873763D+00 -0.102017D+01
               196           197           198           199           200 
      1  -0.970241D+00 -0.982757D+00  0.692617D+00 -0.333347D+00  0.297513D+00
      2  -0.982757D+00 -0.775145D+00 -0.160806D+00  0.297513D+00  0.783265D+00
      3   0.692617D+00 -0.160806D+00  0.255199D+00  0.443449D+00 -0.396335D+00
               201           202           203           204           205 
      1   0.443449D+00  0.651577D+00  0.119888D+01 -0.506610D+00  0.139800D+01
      2  -0.396335D+00  0.119888D+01  0.296446D+00  0.773290D-01  0.491601D+00
      3   0.293231D+00 -0.506610D+00  0.773290D-01  0.597355D+00 -0.327880D+00
               206           207           208           209           210 
      1   0.491601D+00 -0.327880D+00 -0.157289D+01 -0.364143D-01  0.637547D+00
      2   0.137812D+01 -0.136266D+01 -0.364143D-01 -0.237365D+01 -0.113439D+01
      3  -0.136266D+01  0.690097D+01  0.637547D+00 -0.113439D+01 -0.786688D+00
               211           212           213           214           215 
      1  -0.173885D+01 -0.102960D+01 -0.145514D+00  0.886559D+00 -0.981894D+00
      2  -0.102960D+01 -0.561257D+01 -0.811652D+00 -0.981894D+00  0.869828D+00
      3  -0.145514D+00 -0.811652D+00 -0.984178D+00 -0.697210D+00 -0.130894D+00
               216           217           218           219           220 
      1  -0.697210D+00  0.380702D+00  0.194186D+00 -0.482402D+00  0.525821D+00
      2  -0.130894D+00  0.194186D+00 -0.790467D+00 -0.378772D+00 -0.121769D+01
      3  -0.250755D+00 -0.482402D+00 -0.378772D+00 -0.269545D+00 -0.487192D+00
               221           222           223           224           225 
      1  -0.121769D+01 -0.487192D+00 -0.135550D+01  0.492445D+00  0.264221D+00
      2   0.430765D+00 -0.405879D-01  0.492445D+00 -0.142528D+01 -0.138520D+01
      3  -0.405879D-01  0.600114D+00  0.264221D+00 -0.138520D+01 -0.689878D+01
               226           227           228           229           230 
      1   0.253789D+01  0.175150D+01 -0.763788D-01  0.353780D+01  0.125029D+01
      2   0.175150D+01  0.224810D+01  0.406509D+00  0.125029D+01  0.310831D+01
      3  -0.763788D-01  0.406509D+00  0.440658D+00  0.143024D+01  0.843841D-01
               231           232           233           234           235 
      1   0.143024D+01 -0.172534D+01  0.571960D+00 -0.294515D+00 -0.158289D+01
      2   0.843841D-01  0.571960D+00 -0.141731D+00  0.703492D+00  0.500414D+00
      3   0.117926D+01 -0.294515D+00  0.703492D+00  0.159544D+00 -0.270755D+00
               236           237           238           239           240 
      1   0.500414D+00 -0.270755D+00  0.388459D-01  0.654688D+00  0.628823D-01
      2   0.560581D+00  0.968363D-01  0.654688D+00  0.238289D-01  0.777850D+00
      3   0.968363D-01 -0.715845D+00  0.628823D-01  0.777850D+00  0.161667D+00
               241           242           243           244           245 
      1   0.181838D+01 -0.252226D+00  0.135657D+01  0.110605D+01 -0.383731D+00
      2  -0.252226D+00  0.102562D+01  0.568787D+00 -0.383731D+00  0.456982D+00
      3   0.135657D+01  0.568787D+00  0.701049D+01  0.233867D+01  0.235279D+00
               246           247           248           249           250 
      1   0.233867D+01 -0.653943D+00  0.183194D+01  0.247409D+00  0.295734D+01
      2   0.235279D+00  0.183194D+01 -0.409118D+01 -0.446802D+01  0.760319D+00
      3   0.148381D+01  0.247409D+00 -0.446802D+01 -0.979063D+00  0.195948D+01
               251           252           253           254           255 
      1   0.760319D+00  0.195948D+01  0.475738D+00  0.136310D+01 -0.917305D+00
      2  -0.612566D+01 -0.194890D+01  0.136310D+01 -0.152906D+01 -0.870555D+00
      3  -0.194890D+01 -0.197658D+00 -0.917305D+00 -0.870555D+00 -0.130033D+01
               256           257           258           259           260 
      1   0.219187D+01 -0.401296D+01 -0.154827D+01 -0.265282D+00 -0.885049D+00
      2  -0.401296D+01  0.853701D+01  0.509895D+01 -0.885049D+00  0.314658D+01
      3  -0.154827D+01  0.509895D+01  0.129812D+01 -0.207321D+01  0.107012D+01
               261           262           263           264           265 
      1  -0.207321D+01  0.524947D+01  0.653828D+00 -0.248244D+01 -0.144506D-01
      2   0.107012D+01  0.653828D+00  0.240158D+01 -0.577710D+00  0.153159D+00
      3  -0.480002D+00 -0.248244D+01 -0.577710D+00  0.194688D+01  0.440630D+00
               266           267           268           269           270 
      1   0.153159D+00  0.440630D+00 -0.162368D+01  0.233345D+00  0.113082D+01
      2  -0.125131D+01  0.722030D+00  0.233345D+00  0.511459D+00 -0.343437D-01
      3   0.722030D+00 -0.409740D+00  0.113082D+01 -0.343437D-01 -0.174616D+01
               271           272           273           274           275 
      1  -0.497652D+00 -0.595736D+00 -0.677981D+00  0.641744D-01 -0.955014D+00
      2  -0.595736D+00 -0.239887D+01  0.111770D+01 -0.955014D+00 -0.272781D+00
      3  -0.677981D+00  0.111770D+01 -0.197755D+01  0.454897D+00 -0.134008D+00
               276           277           278           279           280 
      1   0.454897D+00 -0.100119D+01 -0.630518D-01 -0.517233D+00  0.413819D+01
      2  -0.134008D+00 -0.630518D-01 -0.147786D+01  0.123496D+01  0.116837D+01
      3   0.462415D+00 -0.517233D+00  0.123496D+01 -0.553861D+01  0.162063D+01
               281           282           283           284           285 
      1   0.116837D+01  0.162063D+01  0.506737D+00  0.121103D+01  0.106828D+00
      2   0.211125D+01  0.396783D+00  0.121103D+01  0.855158D+00  0.320029D+00
      3   0.396783D+00  0.146751D+01  0.106828D+00  0.320029D+00  0.264015D+00
               286           287           288           289           290 
      1   0.258650D+01  0.477035D+00  0.171943D+01  0.965371D+00  0.170258D+01
      2   0.477035D+00  0.904654D+00  0.924021D+00  0.170258D+01  0.117591D+01
      3   0.171943D+01  0.924021D+00  0.217698D+01 -0.399767D+00 -0.534228D+00
               291           292           293           294           295 
      1  -0.399767D+00  0.150957D+01  0.169558D+01 -0.597245D+00 -0.455756D+00
      2  -0.534228D+00  0.169558D+01  0.906813D+01 -0.293636D+01 -0.130165D+01
      3   0.479354D+00 -0.597245D+00 -0.293636D+01  0.196967D+01  0.999001D+00
               296           297           298           299           300 
      1  -0.130165D+01  0.999001D+00 -0.752174D+00  0.162538D+01  0.356049D+00
      2  -0.504475D+01  0.310191D+01  0.162538D+01 -0.914754D+00 -0.417201D+00
      3   0.310191D+01 -0.254956D+01  0.356049D+00 -0.417201D+00 -0.389194D+00
               301           302           303           304           305 
      1   0.140726D+01 -0.142917D+01 -0.482842D+00  0.352017D+00 -0.109179D+01
      2  -0.142917D+01  0.924745D+01  0.297982D+01 -0.109179D+01  0.515744D+01
      3  -0.482842D+00  0.297982D+01  0.198791D+01 -0.859374D+00  0.314368D+01
               306           307           308           309           310 
      1  -0.859374D+00 -0.400564D+01  0.121294D+01 -0.159105D+01  0.585427D+00
      2   0.314368D+01  0.121294D+01 -0.212707D+01  0.468709D+00 -0.122411D+01
      3   0.254915D+01 -0.159105D+01  0.468709D+00 -0.144874D+01  0.171400D+00
               311           312           313           314           315 
      1  -0.122411D+01  0.171400D+00 -0.253779D+01  0.564470D+00 -0.167076D+01
      2   0.112791D+01 -0.319147D+00  0.564470D+00 -0.904169D+00  0.101448D+01
      3  -0.319147D+00  0.335932D+00 -0.167076D+01  0.101448D+01 -0.217065D+01
               316           317           318           319           320 
      1  -0.520548D+01  0.772884D+00  0.247320D+01  0.167131D+00 -0.232635D+00
      2   0.772884D+00 -0.245332D+01 -0.718117D+00 -0.232635D+00 -0.102295D+01
      3   0.247320D+01 -0.718117D+00 -0.196619D+01  0.299911D+00 -0.709168D+00
               321           322           323           324           325 
      1   0.299911D+00  0.163405D+01  0.124204D+00 -0.113208D+01  0.457605D+00
      2  -0.709168D+00  0.124204D+00 -0.544173D+00  0.167122D-01 -0.465919D+00
      3  -0.322822D+00 -0.113208D+01  0.167122D-01  0.174678D+01  0.746798D+00
               326           327           328           329           330 
      1  -0.465919D+00  0.746798D+00  0.128897D+00  0.959453D+00  0.426955D+00
      2   0.243252D+01  0.108973D+01  0.959453D+00 -0.469122D+00  0.632332D-01
      3   0.108973D+01  0.199636D+01  0.426955D+00  0.632332D-01  0.373731D+00
               331           332           333 
      1   0.993849D+00 -0.422722D-01  0.573231D+00
      2  -0.422722D-01  0.147678D+01  0.120972D+01
      3   0.573231D+00  0.120972D+01  0.553235D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.418203D+00  0.227791D+01 -0.265920D+01  0.345152D+01  0.571756D+01
      2   0.112714D+01 -0.849794D+00  0.907299D+01 -0.135626D+01 -0.118390D+02
      3  -0.400737D+01 -0.101465D+02 -0.166719D+01 -0.654339D+01  0.437348D+01
                 6             7             8             9            10 
      1  -0.231766D+01 -0.549780D+00 -0.343419D+00 -0.130500D+01 -0.444610D+01
      2  -0.338512D+01  0.248689D+01  0.411162D+00  0.984790D+00  0.104656D+02
      3   0.840763D+01 -0.101982D+01  0.935559D+01  0.359804D+01  0.486192D+01
                11            12            13            14            15 
      1   0.407358D+01  0.176032D-01  0.383647D+01 -0.111261D+01 -0.729049D+01
      2  -0.302816D+01  0.395656D+01 -0.436010D+01  0.263772D+00  0.575364D+01
      3   0.659765D+01  0.683015D+01  0.977516D+01 -0.519480D+01 -0.568852D+01
                16            17            18            19            20 
      1  -0.110203D+01 -0.130544D+01 -0.242912D-01 -0.170323D+00 -0.999422D+00
      2   0.126075D+01  0.121654D+01 -0.116338D+01 -0.149059D+02 -0.877176D+01
      3   0.759211D+01 -0.579005D+01 -0.348232D+01 -0.175793D+02 -0.154246D+02
                21            22            23            24            25 
      1   0.661442D+01  0.777364D+01  0.217072D+02 -0.543455D+01  0.139891D+02
      2   0.178183D+01 -0.326422D+01  0.377706D+01 -0.509895D+01 -0.121523D+02
      3   0.607124D+01  0.651081D+01  0.215091D+02 -0.739821D+01  0.335829D+01
                26            27            28            29            30 
      1   0.186930D+02 -0.212448D+02 -0.152027D+00 -0.301420D+01  0.118459D-01
      2  -0.113656D+02  0.119196D+02 -0.252781D+01  0.123720D+00 -0.489921D+01
      3  -0.952872D+00 -0.806284D-01 -0.905879D-01  0.784957D+01 -0.529225D-02
                31            32            33            34            35 
      1  -0.115872D+01  0.206858D+00  0.598619D+01  0.567384D-02 -0.996690D+01
      2   0.685633D-02  0.507586D+00  0.114734D+00  0.107890D+02  0.158143D+00
      3  -0.992638D+01 -0.549062D-01  0.112099D+01  0.820122D-01  0.861758D+00
                36            37            38            39            40 
      1   0.114069D+00 -0.123643D+00 -0.160754D+01 -0.673042D+01  0.683946D+01
      2  -0.173008D+00 -0.142816D+02  0.960715D+01  0.232701D+01  0.383865D+01
      3  -0.994675D-01  0.170504D+02 -0.171133D+02 -0.641552D+01  0.463170D+01
                41            42            43            44            45 
      1  -0.217430D+02 -0.486400D+01 -0.136642D+02  0.198171D+02  0.217133D+02
      2   0.408200D+01  0.514716D+01 -0.109795D+02  0.109229D+02  0.108790D+02
      3  -0.208601D+02 -0.698217D+01 -0.345881D+01 -0.682689D+00  0.153762D+00
                46            47            48            49            50 
      1   0.525281D+01  0.407873D+01 -0.199123D+00  0.381495D+01  0.779383D+00
      2   0.105642D+02  0.243079D+01  0.368945D+01  0.369964D+01 -0.380702D-01
      3  -0.416063D+01  0.706754D+01 -0.708942D+01  0.101314D+02  0.442411D+01
                51            52            53            54            55 
      1  -0.753973D+01  0.109798D+01 -0.145204D+01 -0.471791D-01 -0.166085D+00
      2  -0.561418D+01  0.110037D+01 -0.122571D+01 -0.122083D+01  0.121576D+01
      3  -0.539014D+01 -0.777564D+01 -0.555589D+01  0.350900D+01  0.333069D+01
                56            57            58            59            60 
      1   0.204401D+01  0.293837D+01  0.321245D+01 -0.644086D+01 -0.230513D+01
      2   0.194349D+00  0.908747D+01  0.630652D+00 -0.116132D+02  0.309364D+01
      3  -0.104757D+02  0.205703D+01 -0.679313D+01 -0.371983D+01  0.833254D+01
                61            62            63            64            65 
      1   0.600975D+00 -0.367788D+00  0.134171D+01 -0.535924D+01 -0.960573D+01
      2   0.240502D+01 -0.466580D+00  0.929476D+00  0.203162D+02 -0.176251D+01
      3   0.147260D+01  0.926306D+01 -0.360993D+01  0.815698D+01  0.849555D+01
                66            67            68            69            70 
      1  -0.402208D+01 -0.184574D+02  0.323999D+01 -0.823219D+01 -0.209463D+01
      2   0.121205D+01  0.431680D+01  0.512598D+01  0.468770D+01 -0.277172D+02
      3   0.321331D+01  0.292651D+02 -0.358141D+01  0.908975D+01 -0.979453D+00
                71            72            73            74            75 
      1   0.220870D+01  0.123317D+00  0.502811D+01 -0.984384D+01  0.373211D+01
      2   0.323595D+01 -0.250307D+02  0.198691D+02  0.159432D+01  0.777225D+00
      3   0.390772D+01  0.837197D-01 -0.654681D+01  0.892318D+01 -0.285552D+01
                76            77            78            79            80 
      1  -0.189360D+02 -0.187989D+01 -0.855719D+01  0.103100D+01  0.202838D+01
      2  -0.407409D+01  0.539473D+01 -0.436559D+01 -0.279798D+02 -0.216458D+01
      3   0.296653D+02  0.209339D+01  0.916012D+01  0.105118D+01  0.381465D+01
                81            82            83            84            85 
      1  -0.120051D+01 -0.388056D+01  0.302122D+01  0.177177D+01  0.327302D+01
      2  -0.250168D+02 -0.147001D+02 -0.144477D+02  0.131368D+02 -0.475337D+01
      3  -0.777182D-01 -0.193470D+02 -0.225525D+02  0.141145D+02 -0.123622D+01
                86            87            88            89            90 
      1   0.164755D+02  0.188989D+01  0.883792D+01  0.239378D+02 -0.142321D+02
      2   0.867364D+00 -0.445890D+01 -0.385458D+01 -0.144868D+02  0.116807D+02
      3   0.137052D+02 -0.158569D+01  0.651000D+01 -0.187096D+01  0.305056D+01
                91            92            93            94            95 
      1   0.810611D+01  0.309381D+01  0.636524D+01  0.416955D+01 -0.102903D+02
      2  -0.202321D+01  0.889254D+00 -0.505434D-01 -0.885249D-01  0.231713D+01
      3  -0.610357D+01 -0.130304D+01 -0.638560D+01  0.437195D+01 -0.211153D+00
                96            97            98            99           100 
      1  -0.481610D+01  0.458910D+01 -0.287732D+01  0.185377D+01  0.128062D+01
      2  -0.418272D+00 -0.334686D+01  0.475980D+00 -0.344588D+00 -0.297431D+01
      3  -0.674686D+01 -0.107432D+02 -0.718853D+01 -0.535115D+01 -0.853318D+01
               101           102           103           104           105 
      1   0.183294D+01  0.301397D+01 -0.305773D+00  0.117849D+01 -0.102349D+01
      2   0.143759D+01  0.488288D+01 -0.199413D+01  0.184327D+01 -0.144524D+01
      3  -0.380368D+01 -0.344861D+01 -0.586256D+00 -0.571089D+00 -0.168146D+01
               106           107           108           109           110 
      1   0.209966D+01  0.102133D+01  0.135952D+01  0.140174D+01 -0.140123D+01
      2   0.211028D+01 -0.478625D+00  0.234466D+01  0.483686D+01  0.221446D+01
      3  -0.148955D+01 -0.267169D+01 -0.107271D+01  0.506663D+01  0.547376D+01
               111           112           113           114           115 
      1  -0.191775D+01 -0.337023D+00 -0.140196D+01 -0.297755D+01 -0.365951D+00
      2  -0.355077D+01  0.143940D+01  0.637596D+01 -0.612994D+01 -0.323996D+01
      3  -0.349774D+01  0.481492D+01  0.125546D+02 -0.619574D+01 -0.191504D+01
               116           117           118           119           120 
      1   0.593640D-01  0.220195D+01 -0.742299D+00 -0.227109D+00  0.207667D+01
      2  -0.484679D+01  0.591658D+01 -0.109759D+01  0.702314D+00  0.361139D+01
      3  -0.529498D+01  0.563402D+01  0.415284D+00 -0.378039D+01 -0.363757D-01
               121           122           123           124           125 
      1  -0.246627D+01  0.266585D+01 -0.249682D+01  0.125670D+01 -0.491972D+00
      2  -0.273320D+01 -0.724029D+00 -0.371733D+01  0.870400D+00 -0.284126D+01
      3  -0.604018D+00  0.920015D+01  0.379936D+01  0.160582D+01  0.248618D+01
               126           127           128           129           130 
      1  -0.136125D+01 -0.422492D+01 -0.166456D+01  0.269071D+01 -0.255670D+01
      2  -0.207956D+01 -0.211440D+01  0.256072D+00  0.370981D+01  0.937607D+00
      3   0.105341D+01 -0.742148D+01 -0.603730D+01  0.417674D+01 -0.635409D+01
               131           132           133           134           135 
      1  -0.573495D+01  0.365494D+01  0.261478D+01  0.430043D+01 -0.410771D+01
      2  -0.335046D+01  0.547317D+01  0.130434D+01  0.261881D+01 -0.467450D+01
      3  -0.110683D+02  0.575137D+01  0.387057D+01  0.426052D+01 -0.563384D+01
               136           137           138           139           140 
      1   0.578297D+00 -0.382145D+00 -0.201466D+01 -0.248657D+01 -0.258504D+01
      2  -0.101994D+01 -0.689128D+00  0.386310D+01  0.283949D+01 -0.699692D+00
      3  -0.588959D+00 -0.413774D+01  0.209152D+00 -0.100266D+01 -0.900462D+01
               141           142           143           144           145 
      1  -0.224664D+01 -0.122565D+01 -0.315518D+00  0.128648D+01  0.396309D+01
      2   0.365991D+01  0.103807D+01  0.281369D+01 -0.215967D+01 -0.237294D+01
      3   0.379267D+01 -0.149560D+01  0.253556D+01 -0.106081D+01  0.691640D+01
               146           147           148           149           150 
      1  -0.163482D+01 -0.236601D+01 -0.255781D+01  0.557776D+01  0.350468D+01
      2  -0.251795D+00  0.355464D+01 -0.894892D+00 -0.347179D+01 -0.576505D+01
      3  -0.594314D+01 -0.392315D+01 -0.626185D+01  0.112319D+02  0.591300D+01
               151           152           153           154           155 
      1  -0.235983D+01  0.429378D+01  0.389472D+01 -0.134446D+01  0.177349D+01
      2   0.125516D+01 -0.287566D+01 -0.487438D+01 -0.286605D+01 -0.129904D+01
      3  -0.368094D+01  0.443195D+01  0.563136D+01  0.831920D+01 -0.412595D+01
               156           157           158           159           160 
      1  -0.284058D+01 -0.235313D+00 -0.120064D+01 -0.836886D+00 -0.194499D+01
      2   0.507086D+01  0.223902D+01  0.188954D+01  0.126468D+01  0.220112D+01
      3   0.336714D+01 -0.883876D+00  0.844400D+00 -0.183018D+01  0.135230D+01
               161           162           163           164           165 
      1   0.113762D+01 -0.126457D+01 -0.126869D+01 -0.137262D+01  0.163775D+01
      2   0.323821D+00  0.241878D+01  0.475674D+01 -0.208379D+01 -0.334952D+01
      3  -0.274665D+01  0.107896D+01 -0.465328D+01  0.514798D+01  0.322892D+01
               166           167           168           169           170 
      1  -0.269392D+00  0.175910D+01 -0.278529D+01  0.235309D+00  0.256517D+00
      2  -0.138011D+01  0.647045D+01  0.640207D+01 -0.305138D+01  0.497752D+01
      3   0.451479D+01 -0.130044D+02 -0.634943D+01  0.169677D+01 -0.538533D+01
               171           172           173           174           175 
      1  -0.195130D+01 -0.182959D+01  0.280895D+01 -0.614771D-01  0.450005D+01
      2   0.600273D+01 -0.142057D+01  0.171579D+01  0.200520D+01  0.535598D+01
      3  -0.563008D+01  0.235815D+01 -0.479734D+01  0.160569D+00 -0.440555D+01
               176           177           178           179           180 
      1  -0.661746D+01  0.498572D+00  0.174305D+01 -0.426379D+00 -0.151375D+00
      2  -0.144205D+01  0.290082D+00  0.369221D+01 -0.108467D+01  0.805756D+00
      3   0.915739D+01 -0.174204D+01 -0.126417D+01  0.173255D+01  0.219022D+00
               181           182           183           184           185 
      1  -0.197080D+01 -0.754641D+00 -0.914649D+00 -0.965666D-01 -0.556209D+00
      2  -0.632718D+00  0.602701D+00 -0.369662D+01 -0.695004D+00  0.190025D+01
      3   0.148838D+01 -0.299077D-01  0.462400D+00  0.801466D+00  0.544970D+00
               186           187           188           189           190 
      1   0.715347D+00  0.873350D+00  0.264404D+01 -0.585800D+00  0.782704D+00
      2  -0.471519D+00  0.219316D+00 -0.215534D+01  0.151405D+02 -0.275626D+01
      3  -0.160405D+01 -0.116158D+01 -0.228840D+01  0.159459D+01 -0.335801D+01
               191           192           193           194           195 
      1   0.494417D+01 -0.116375D+01  0.113833D+01 -0.683431D+01 -0.117377D+01
      2   0.207933D+01  0.103642D+00  0.257326D+01 -0.309611D+01  0.131264D+01
      3   0.503084D+01 -0.177226D+01  0.522258D+01 -0.854826D+01  0.135720D+01
               196           197           198           199           200 
      1  -0.875127D+00 -0.362724D+01  0.190543D+00  0.155676D+00 -0.175250D+01
      2  -0.206879D+00  0.609753D+00 -0.570345D+00 -0.153522D+01  0.511435D+00
      3   0.570928D+00 -0.170977D+01 -0.431186D+00 -0.107740D+01 -0.115075D+01
               201           202           203           204           205 
      1   0.149263D+01 -0.129477D+01 -0.548113D+00  0.311603D+01 -0.295918D+00
      2  -0.117029D+01 -0.557704D+00 -0.101130D+01 -0.682553D+00 -0.284470D+01
      3  -0.108390D+01 -0.271501D+00 -0.963514D+00  0.132586D+01 -0.254454D+01
               206           207           208           209           210 
      1  -0.811546D+00  0.123909D+02 -0.622654D+00  0.517697D+01  0.109967D+01
      2   0.128275D+01 -0.873076D+01 -0.296834D+01 -0.231780D+01  0.963012D-02
      3   0.200485D+00 -0.135216D+01  0.388399D+01  0.522064D+01  0.182208D+01
               211           212           213           214           215 
      1   0.134899D+01  0.641976D+01 -0.128558D+01  0.705661D+00 -0.370458D+01
      2  -0.263615D+01 -0.316699D+01 -0.125665D+01 -0.248000D+00 -0.431439D+00
      3   0.543207D+01  0.809413D+01  0.126531D+01 -0.660203D+00 -0.168856D+01
               216           217           218           219           220 
      1  -0.212571D+00 -0.360561D+00 -0.173768D+01 -0.140691D+01 -0.122054D+01
      2  -0.562457D+00 -0.152221D+01 -0.413821D+00 -0.108199D+01  0.640241D+00
      3   0.428212D+00  0.101626D+01 -0.114426D+01  0.114718D+01 -0.276670D+00
               221           222           223           224           225 
      1   0.635294D+00  0.318203D+01  0.131266D+00 -0.897862D+00 -0.127544D+02
      2  -0.105121D+01  0.582931D+00 -0.289922D+01 -0.113298D+01 -0.817636D+01
      3   0.103227D+01  0.127576D+01  0.255090D+01  0.981168D-01  0.136966D+01
               226           227           228           229           230 
      1   0.205177D+01  0.288971D+01  0.147200D+00  0.434332D+01  0.661626D+01
      2  -0.179697D+01 -0.186229D+01  0.200744D+01 -0.550186D+01 -0.151682D+01
      3  -0.271774D+01 -0.501589D+01 -0.210179D+00 -0.451730D+01 -0.934139D+01
               231           232           233           234           235 
      1   0.337485D+00 -0.158159D+01 -0.376285D+00  0.204953D+00  0.188831D+01
      2  -0.348112D+00  0.380666D+01  0.963885D+00  0.798624D+00 -0.701585D+00
      3  -0.151010D+01  0.130849D+01  0.181888D+01 -0.264559D+00 -0.144517D+01
               236           237           238           239           240 
      1  -0.825462D+00  0.784315D+00 -0.119086D+00  0.665010D+00  0.703059D+00
      2  -0.451848D+00 -0.370663D+01  0.819370D+00  0.186658D+01  0.597577D+00
      3   0.107667D-01 -0.528037D+00  0.838514D+00 -0.568726D+00 -0.158667D+01
               241           242           243           244           245 
      1  -0.746827D+00  0.276064D+01  0.123178D+01 -0.781129D+01  0.390256D+01
      2   0.358984D+00  0.202183D+01  0.150944D+02 -0.170034D+01 -0.862029D+00
      3   0.106529D+01 -0.233633D+01 -0.158583D+01  0.621842D+01 -0.160302D+01
               246           247           248           249           250 
      1  -0.655282D+01  0.492293D+01  0.995780D+01 -0.453795D+01 -0.484862D+01
      2   0.258289D+00  0.501005D-01  0.188767D+01  0.606565D+00 -0.315857D+01
      3   0.605952D+01  0.416728D+01  0.267356D+00 -0.695182D+01  0.104077D+02
               251           252           253           254           255 
      1  -0.263926D+01 -0.185748D+01  0.348457D+01  0.283658D+01 -0.102926D+01
      2  -0.191332D+00 -0.248686D+00 -0.139452D+02  0.150461D+02  0.133860D+02
      3  -0.771490D+01  0.533712D+01  0.181450D+02 -0.240827D+02 -0.141715D+02
               256           257           258           259           260 
      1   0.259017D+01 -0.168982D+02  0.205064D+01 -0.786364D+01  0.248828D+02
      2   0.523599D+01  0.685309D+00  0.372017D+01 -0.290456D+01  0.135020D+02
      3  -0.258698D+01 -0.127118D+02 -0.941027D+00 -0.653186D+01 -0.164165D+01
               261           262           263           264           265 
      1   0.146738D+02  0.508888D+01 -0.300859D+01 -0.368864D+01 -0.176917D+01
      2   0.110024D+02  0.691313D+01  0.667070D+00 -0.141445D+01 -0.243691D+01
      3  -0.307891D+01  0.118953D+02 -0.264221D+01 -0.526479D+01 -0.353535D+01
               266           267           268           269           270 
      1   0.245370D+01  0.674633D-01 -0.300254D+01  0.134533D+01  0.266758D+01
      2  -0.116176D+01  0.913753D+00 -0.665651D+00  0.267366D+00  0.411422D+00
      3   0.148826D+01  0.187836D+01 -0.226512D+01  0.205076D+00  0.288557D+01
               271           272           273           274           275 
      1   0.986297D+00  0.270912D+00  0.388157D+01 -0.674986D+00 -0.250752D-02
      2  -0.109054D+01  0.345562D+01 -0.488923D+01  0.152766D+01  0.936982D+00
      3  -0.333917D+00  0.292381D+01 -0.318299D+01  0.200213D+01  0.117882D+01
               276           277           278           279           280 
      1  -0.188740D+00  0.802357D+00  0.349297D+00  0.883430D+01 -0.657874D+01
      2  -0.439136D+00 -0.260470D+01  0.200193D+01 -0.764104D+01  0.243236D+01
      3   0.114132D+00 -0.124602D+01  0.194933D+01 -0.231007D+01  0.137796D+02
               281           282           283           284           285 
      1  -0.128138D+01 -0.530810D+01 -0.451183D+00 -0.112711D+01 -0.914209D+00
      2   0.533407D+00  0.346589D+01  0.113249D+00  0.548540D+00  0.878506D-01
      3  -0.809220D+00  0.573673D+01 -0.750857D-01  0.453937D+01 -0.283500D+00
               286           287           288           289           290 
      1  -0.607881D+01 -0.894747D+00 -0.855967D+01  0.970537D-01  0.289092D+00
      2   0.128183D+01  0.131179D+01  0.328660D+01  0.193102D+00  0.371013D+00
      3   0.923145D+01 -0.406640D+00  0.482954D+01  0.190982D+01  0.351758D+01
               291           292           293           294           295 
      1  -0.167292D+01  0.169474D+01  0.394698D+01 -0.690587D+01 -0.146921D+01
      2   0.723016D+00  0.263673D+00 -0.161857D+01  0.162937D+01 -0.820249D+00
      3  -0.102760D+01  0.506868D+01 -0.259294D+01  0.112747D+00 -0.942808D+00
               296           297           298           299           300 
      1  -0.190761D+01  0.679293D+01 -0.278907D-01  0.766257D-01  0.137932D+01
      2   0.150661D+01 -0.171482D+01  0.158343D+00 -0.453327D+00  0.585141D+00
      3   0.345370D+01  0.292679D+00 -0.151343D+01  0.371279D+01  0.104679D+01
               301           302           303           304           305 
      1   0.150533D+01 -0.410108D+01 -0.703959D+01  0.133851D+01 -0.204610D+01
      2  -0.406716D+00 -0.140168D+01 -0.134794D+01 -0.947459D+00 -0.138515D+01
      3   0.524323D+01  0.217905D+01  0.603579D-01  0.110966D+01  0.342931D+01
               306           307           308           309           310 
      1  -0.687001D+01  0.655595D+01 -0.166366D+01  0.536918D+01 -0.754196D+00
      2  -0.141444D+01  0.210246D+01 -0.577929D+00  0.321172D+01 -0.175276D+00
      3  -0.284711D+00 -0.137514D+02 -0.214697D+00 -0.567827D+01  0.427684D+00
               311           312           313           314           315 
      1   0.104826D+01 -0.121612D+01  0.603520D+01 -0.133892D+01  0.864945D+01
      2   0.482622D+00 -0.201201D+00  0.943945D+00 -0.133188D+01  0.289254D+01
      3  -0.424415D+01  0.722489D-01 -0.918236D+01  0.197048D+00 -0.476456D+01
               316           317           318           319           320 
      1  -0.499107D+01 -0.277492D+01  0.362794D+01 -0.155902D+01 -0.206129D+01
      2   0.723331D+01 -0.933365D+00 -0.161186D+01  0.220733D+01 -0.119210D+01
      3  -0.121341D+02 -0.187266D+01  0.535938D+01 -0.302781D+01 -0.752068D+00
               321           322           323           324           325 
      1  -0.128797D+00  0.298231D+01  0.114558D+01 -0.264985D+01 -0.104925D+01
      2  -0.848367D+00 -0.796302D+00 -0.264235D+00  0.524708D+00 -0.124217D+01
      3   0.166127D+01  0.221042D+01  0.335777D-01 -0.287918D+01  0.552480D+00
               326           327           328           329           330 
      1   0.160831D+00 -0.410395D+01 -0.696842D+00  0.863827D-01  0.179176D-01
      2  -0.337793D+01 -0.467880D+01 -0.142647D+01  0.117203D+01  0.656389D+00
      3   0.284809D+01  0.318255D+01  0.193536D+01 -0.142615D+01 -0.340039D-01
               331           332           333 
      1  -0.902140D+00  0.295928D+00 -0.914662D+01
      2  -0.263856D+01 -0.189227D+01 -0.722613D+01
      3   0.131023D+01  0.189085D+01  0.230061D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.412055D+02 -0.677860D+01 -0.234649D+02 -0.151743D+01  0.181829D+02
      2   0.264340D+02  0.858968D+01  0.131560D+02  0.533271D+01 -0.935728D+01
      3   0.147715D+02 -0.181108D+01  0.103089D+02 -0.381527D+01 -0.882561D+01
      4  -0.161670D+02  0.869388D+01 -0.825965D+01  0.115832D+02  0.588794D+01
      5  -0.264968D+02 -0.194435D+01 -0.571512D+01  0.382603D+01 -0.804345D+01
      6  -0.728720D+01  0.544561D+01 -0.302178D-01  0.421277D+01 -0.891644D+01
                 6             7             8             9            10 
      1   0.746915D+01 -0.191931D+02  0.568248D+01 -0.646828D+00  0.104793D+02
      2  -0.949036D+01  0.110367D+02 -0.780496D+01 -0.341115D+01 -0.685346D+01
      3   0.202121D+01  0.815641D+01  0.212248D+01  0.405798D+01 -0.362589D+01
      4  -0.786261D+01 -0.468093D+01 -0.640339D+01 -0.382212D+01 -0.232282D+00
      5  -0.436843D+01 -0.637202D+01 -0.344784D+01  0.371668D+01  0.107126D+02
      6  -0.936420D+01  0.937547D-01 -0.729009D+01  0.331111D+00  0.803974D+01
                11            12            13            14            15 
      1   0.266865D+01  0.132652D+02  0.991792D+00 -0.161453D+02 -0.289887D+01
      2  -0.109204D+02 -0.548649D+01 -0.113290D+02  0.367811D+01  0.982628D+01
      3   0.825177D+01 -0.777870D+01  0.103372D+02  0.124672D+02 -0.692741D+01
      4  -0.214023D+02  0.651896D+01 -0.267182D+02 -0.232010D+02  0.179569D+02
      5  -0.315239D+00 -0.916534D+01  0.162246D+01  0.204521D+02  0.372480D+01
      6   0.462448D+01 -0.813601D+00  0.996753D+01  0.117055D+02 -0.325870D+01
                16            17            18            19            20 
      1   0.985707D+01 -0.414081D+01 -0.533562D+01  0.193445D+00  0.260956D+01
      2  -0.331136D+01  0.938555D+01  0.214360D+01 -0.400546D+01  0.217971D+01
      3  -0.654570D+01 -0.524474D+01  0.319201D+01  0.381202D+01 -0.478927D+01
      4   0.493583D+01  0.139649D+02  0.631399D+00  0.616662D+01  0.134878D+02
      5  -0.785233D+01  0.218748D+01 -0.301485D+01 -0.365503D+01 -0.246540D+01
      6  -0.150452D+01 -0.404208D+01 -0.322776D+01 -0.769452D+01 -0.620560D+01
                21            22            23            24            25 
      1  -0.685797D+01 -0.153249D+01  0.137252D+02 -0.449494D+00 -0.165892D+01
      2   0.431922D+01  0.407576D+01 -0.165568D+02  0.220599D+01  0.192702D+01
      3   0.253875D+01 -0.254327D+01  0.283167D+01 -0.175650D+01 -0.268097D+00
      4  -0.875409D+01  0.866111D+01  0.807444D+01 -0.492352D+01 -0.478494D+01
      5   0.518463D+01 -0.108113D+01 -0.654738D+01  0.261252D+01  0.501722D+01
      6   0.201962D+01 -0.655822D+01 -0.762861D+00  0.576150D+01  0.853799D+00
                26            27            28            29            30 
      1  -0.921164D+00  0.920095D+01 -0.109629D+02  0.546647D-01  0.539855D+01
      2   0.863722D+00  0.434973D+01  0.265723D+01 -0.681076D-01 -0.644891D+01
      3   0.574416D-01 -0.135507D+02  0.830566D+01  0.134430D-01  0.105037D+01
      4  -0.211370D+01  0.132426D+01  0.904576D-02 -0.611215D+01 -0.405197D+00
      5   0.401162D+00  0.519928D+01  0.366430D+01 -0.261064D+00 -0.296199D+01
      6   0.407576D+01  0.502684D+01 -0.281103D+00 -0.399396D+01  0.396723D-02
                31            32            33            34            35 
      1  -0.256276D-01  0.287384D+01 -0.432621D+00  0.848152D+01 -0.594803D+00
      2   0.341714D-01 -0.102295D+02  0.484163D+00 -0.917711D+01  0.610847D+00
      3  -0.854383D-02  0.735568D+01 -0.515421D-01  0.695598D+00 -0.160442D-01
      4  -0.713792D+01  0.254001D-01 -0.697962D+01 -0.636230D+00 -0.940663D+01
      5  -0.259272D+00 -0.442522D+01  0.931065D-02  0.415920D+01  0.165126D-02
      6  -0.409640D+01  0.248456D+00 -0.291414D+01  0.804896D-02  0.331880D+01
                36            37            38            39            40 
      1   0.644727D+00 -0.297893D+00 -0.873968D+00 -0.605555D+01  0.288070D+01
      2   0.788999D+00 -0.380691D+01 -0.388624D+01  0.346215D+01 -0.535888D+01
      3  -0.143373D+01  0.410480D+01  0.476020D+01  0.259340D+01  0.247818D+01
      4   0.101817D-01 -0.540135D+01  0.132882D+02  0.897935D+01  0.818800D+01
      5   0.711483D+00 -0.320630D+01  0.205184D+01  0.498117D+01  0.620280D+00
      6  -0.468536D-01  0.726330D+01 -0.656230D+01 -0.200308D+01 -0.686037D+01
                41            42            43            44            45 
      1   0.129031D+02  0.275782D+00 -0.119829D+01  0.789846D+00  0.908497D+01
      2  -0.154322D+02 -0.188159D+01  0.148987D+01 -0.708667D+00  0.445534D+01
      3   0.252919D+01  0.160581D+01 -0.291581D+00 -0.811791D-01 -0.135403D+02
      4  -0.103857D+02 -0.542401D+01  0.481865D+01 -0.238196D+01 -0.151489D+01
      5  -0.662940D+01 -0.255150D+01  0.494213D+01 -0.407266D+00  0.496894D+01
      6   0.169624D+01  0.597773D+01 -0.888850D+00  0.412250D+01 -0.527902D+01
                46            47            48            49            50 
      1   0.102386D+02 -0.555610D+01  0.128044D+02 -0.437226D+01 -0.136254D+02
      2  -0.579645D+01  0.130894D+02 -0.538390D+01  0.139626D+02  0.409457D+00
      3  -0.444213D+01 -0.753327D+01 -0.742050D+01 -0.959031D+01  0.132160D+02
      4  -0.250111D+01 -0.197212D+02 -0.651547D+01 -0.248576D+02  0.260085D+02
      5   0.102796D+02  0.976266D+00 -0.930699D+01 -0.704161D+00  0.199062D+02
      6  -0.785826D+01  0.443191D+01  0.108847D+01  0.979135D+01 -0.132283D+02
                51            52            53            54            55 
      1   0.390099D+01  0.951266D+01  0.491688D+01 -0.539662D+01 -0.391807D+02
      2  -0.111733D+02 -0.328013D+01 -0.104250D+02  0.220391D+01  0.242139D+02
      3   0.727228D+01 -0.623253D+01  0.550811D+01  0.319271D+01  0.149668D+02
      4   0.176218D+02 -0.486115D+01  0.135748D+02 -0.338315D+00  0.197416D+02
      5  -0.351447D+01 -0.782109D+01 -0.207569D+01 -0.293016D+01 -0.261353D+02
      6  -0.312715D+01  0.167196D+01 -0.401739D+01  0.340607D+01  0.878900D+01
                56            57            58            59            60 
      1   0.992632D+01 -0.230006D+02  0.500749D+01  0.170370D+02 -0.711792D+01
      2  -0.107245D+02  0.128117D+02 -0.773114D+01 -0.807197D+01  0.957204D+01
      3   0.798204D+00  0.101889D+02  0.272365D+01 -0.896498D+01 -0.245412D+01
      4   0.688592D+01  0.943122D+01  0.997349D+01 -0.769113D+01 -0.752489D+01
      5   0.291951D+01 -0.548822D+01 -0.281938D+01 -0.762979D+01  0.423599D+01
      6   0.541940D+01 -0.186944D+00  0.435361D+01  0.886155D+01 -0.956485D+01
                61            62            63            64            65 
      1  -0.189138D+02 -0.543259D+01 -0.273477D+00  0.103326D+02 -0.583251D+01
      2   0.108917D+02  0.787371D+01 -0.378774D+01 -0.967429D+01  0.543778D+01
      3   0.802215D+01 -0.244112D+01  0.406121D+01 -0.658315D+00  0.394726D+00
      4   0.563248D+01 -0.600355D+01  0.369262D+01 -0.182987D+02 -0.563611D+01
      5  -0.617915D+01  0.341502D+01  0.373167D+01  0.109000D+02 -0.483368D+01
      6  -0.161220D+00 -0.745866D+01 -0.487853D+00 -0.326369D+01 -0.440977D+01
                66            67            68            69            70 
      1   0.626123D+01 -0.100508D+02 -0.902205D+01 -0.347773D+01  0.366118D+01
      2  -0.628200D+01  0.732502D+01  0.193075D+01  0.145336D+01 -0.332964D+01
      3   0.207690D-01  0.272573D+01  0.709130D+01  0.202437D+01 -0.331546D+00
      4  -0.809748D+01  0.150311D+00 -0.350843D+01  0.661379D+01 -0.392860D+01
      5   0.801847D+01 -0.537693D+01  0.195229D+01 -0.132689D+01  0.505380D+01
      6  -0.140799D+01 -0.245389D+01 -0.174197D+01  0.376001D+01 -0.915819D+00
                71            72            73            74            75 
      1  -0.129313D+01  0.758103D+01  0.126015D+02  0.446505D+01  0.714044D+01
      2   0.265938D+01  0.689382D+01 -0.117774D+02 -0.437754D+01 -0.704654D+01
      3  -0.136625D+01 -0.144748D+02 -0.824140D+00 -0.875163D-01 -0.938917D-01
      4   0.246954D+01 -0.399315D+01  0.171224D+02 -0.662466D+01  0.781236D+01
      5  -0.156762D+01 -0.716934D+01  0.115196D+02  0.425153D+01  0.816316D+01
      6   0.394211D+01  0.732187D+00  0.251017D+01 -0.462503D+01  0.123918D+01
                76            77            78            79            80 
      1   0.908434D+01 -0.944195D+01  0.370646D+01  0.413593D+01  0.133187D+01
      2  -0.669582D+01  0.224524D+01 -0.166130D+01 -0.382341D+01 -0.267820D+01
      3  -0.238852D+01  0.719671D+01 -0.204516D+01 -0.312519D+00  0.134633D+01
      4  -0.124809D+01  0.422450D+01  0.603513D+01  0.373461D+01  0.216467D+01
      5   0.482842D+01  0.156009D+01  0.111004D+01  0.524904D+01  0.150171D+01
      6  -0.272486D+01  0.198770D+01  0.366642D+01  0.885016D+00  0.385398D+01
                81            82            83            84            85 
      1   0.796869D+01 -0.628512D+01 -0.296230D+01  0.970242D+01 -0.575748D+01
      2   0.653216D+01  0.920218D+01  0.315440D+01 -0.279248D+01  0.933506D+01
      3  -0.145009D+02 -0.291706D+01 -0.192095D+00 -0.690994D+01 -0.357758D+01
      4   0.395070D+01 -0.620789D+01  0.232636D+01  0.522617D+01  0.246674D+01
      5  -0.717825D+01  0.878112D+01 -0.140175D+01 -0.166694D+01 -0.136074D+01
      6  -0.422795D+00  0.524173D+01 -0.422249D+01  0.480574D+01 -0.326258D+01
                86            87            88            89            90 
      1  -0.165288D+02  0.850862D+01  0.652660D+01  0.458295D+01  0.283431D+01
      2   0.165583D+02 -0.161309D+02  0.209728D+00 -0.828230D+01  0.411954D+01
      3  -0.295133D-01  0.762231D+01 -0.673632D+01  0.369934D+01 -0.695385D+01
      4   0.452136D+01 -0.340717D+01  0.581712D+01 -0.288988D+01  0.281157D+01
      5  -0.716506D+01  0.164984D+01 -0.474190D+00  0.591325D+00 -0.211203D+01
      6  -0.122964D+02  0.520260D+01  0.376241D+01  0.247094D+01  0.598456D+01
                91            92            93            94            95 
      1  -0.215950D+01  0.264801D+01 -0.657514D+01  0.626210D+01  0.154434D+02
      2   0.185581D+00 -0.449261D+01  0.418775D+01 -0.116436D+02 -0.205635D+02
      3   0.197392D+01  0.184460D+01  0.238739D+01  0.538149D+01  0.512008D+01
      4  -0.632074D+01 -0.311067D+01 -0.123079D+02 -0.450263D+01 -0.107021D+02
      5  -0.569161D+01 -0.137247D+01 -0.334408D+01 -0.977220D+00  0.676604D+01
      6  -0.124271D+02  0.336442D+01 -0.853307D+01  0.396449D+01  0.285085D+02
                96            97            98            99           100 
      1  -0.151436D+02 -0.930163D+01 -0.198725D+02  0.280861D+01  0.686261D+02
      2   0.287116D+02  0.748799D+01  0.326193D+02 -0.662219D+01 -0.370477D+02
      3  -0.135680D+02  0.181363D+01 -0.127468D+02  0.381358D+01 -0.315784D+02
      4   0.541304D+01 -0.135360D+02  0.861854D+01 -0.112712D+02 -0.307832D+02
      5  -0.632437D+00 -0.487294D+01 -0.362806D+01 -0.745811D-01  0.311420D+02
      6  -0.959805D+01 -0.111814D+02 -0.128091D+02  0.193576D+01 -0.931080D+01
               101           102           103           104           105 
      1  -0.935841D+01  0.186228D+02  0.197955D+01  0.545759D+01  0.223162D+01
      2   0.246663D+01 -0.126011D+02 -0.453649D+01 -0.180674D+01 -0.338265D+01
      3   0.689178D+01 -0.602161D+01  0.255694D+01 -0.365085D+01  0.115102D+01
      4   0.132513D+02 -0.867681D+01  0.100280D+02 -0.502847D+01  0.407105D+01
      5  -0.485749D+01  0.181442D+02  0.764844D+00  0.515277D+01 -0.475498D+00
      6   0.327999D+01 -0.635531D+01  0.278115D+01 -0.297326D+01  0.356622D+01
               106           107           108           109           110 
      1   0.143879D+02 -0.710763D+00  0.109269D+02 -0.305838D+01 -0.908178D+01
      2  -0.116420D+02 -0.591308D+00 -0.890617D+01  0.289557D+01  0.849594D+01
      3  -0.274592D+01  0.130207D+01 -0.202075D+01  0.162806D+00  0.585841D+00
      4  -0.797621D+01  0.445544D+01 -0.692814D+01 -0.115060D+00 -0.100573D+01
      5   0.203851D+02 -0.404050D+01  0.130267D+02  0.296427D+01 -0.760777D+00
      6  -0.706037D+01  0.434500D+01 -0.459024D+01 -0.512711D+01 -0.559926D+01
               111           112           113           114           115 
      1   0.865138D+01 -0.542081D+01 -0.187294D+02  0.958237D+01  0.589254D+01
      2  -0.458327D+01  0.352229D+01  0.237441D+02 -0.875232D+01 -0.261123D+01
      3  -0.406811D+01  0.189852D+01 -0.501476D+01 -0.830045D+00 -0.328131D+01
      4  -0.211675D+01  0.458947D+01 -0.141896D+02  0.673111D+01 -0.463475D+01
      5  -0.855559D+00 -0.217476D+01  0.678991D+01 -0.859609D+01  0.309703D+01
      6   0.511932D+01 -0.504256D+00 -0.176852D+02  0.140255D+02  0.491511D+00
               116           117           118           119           120 
      1   0.762073D+01 -0.972017D+01  0.144082D+02 -0.933910D+01 -0.511845D+01
      2  -0.599047D+01  0.479286D+01 -0.316604D+00 -0.313823D+01  0.128903D+01
      3  -0.163027D+01  0.492731D+01 -0.140916D+02  0.124773D+02  0.382942D+01
      4   0.693837D+01 -0.523065D+01 -0.240832D+02  0.228778D+02  0.756705D+01
      5  -0.652213D+01  0.782513D+01 -0.107515D+02  0.710389D+01  0.866303D+01
      6   0.127917D+02 -0.130282D+02  0.714220D+01 -0.558725D+01 -0.458789D+01
               121           122           123           124           125 
      1  -0.873804D+01 -0.218188D+00 -0.156214D+01 -0.369864D+01 -0.164705D+01
      2  -0.834603D+01  0.237667D+02  0.644015D+01  0.116902D+01  0.364892D+01
      3   0.170841D+02 -0.235485D+02 -0.487801D+01  0.252962D+01 -0.200187D+01
      4   0.322289D+02 -0.443626D+02 -0.147957D+02  0.855626D+01 -0.115710D+02
      5   0.981865D+01 -0.148943D+02 -0.101194D+02  0.114030D+02 -0.106133D+02
      6  -0.999258D+01  0.175680D+02  0.113699D+02 -0.777925D+01  0.118568D+02
               126           127           128           129           130 
      1   0.898315D+00  0.219651D+02  0.751075D+01 -0.964160D+01  0.155337D+02
      2   0.153641D+01 -0.158067D+02 -0.680794D+01  0.818562D+01 -0.130775D+02
      3  -0.243473D+01 -0.615837D+01 -0.702810D+00  0.145598D+01 -0.245623D+01
      4  -0.114788D+02  0.193434D+01  0.659170D+01 -0.105203D+00  0.634374D+01
      5  -0.870528D+01 -0.148650D+02 -0.393962D+01  0.125290D+02 -0.882901D+01
      6   0.836700D+01  0.877191D+00 -0.180384D+01 -0.200645D+01 -0.263705D+01
               131           132           133           134           135 
      1   0.843179D+01 -0.505614D+01 -0.965053D+01 -0.152815D+01  0.649058D+01
      2  -0.792551D+01  0.836352D+01  0.912188D+01  0.488340D+01 -0.106136D+02
      3  -0.506283D+00 -0.330738D+01  0.528653D+00 -0.335524D+01  0.412300D+01
      4   0.884332D+01 -0.702210D+01  0.163599D+01 -0.604221D+01  0.269995D+01
      5  -0.975257D+01  0.114686D+02  0.131963D+02  0.560865D+01 -0.146497D+02
      6  -0.194249D+01  0.328144D+00 -0.147266D+01  0.234590D+01  0.119719D+01
               136           137           138           139           140 
      1   0.175175D+02  0.106998D+02 -0.574544D+01  0.109001D+02  0.271917D+01
      2  -0.210646D+01  0.211624D+01  0.170499D+01  0.651640D+01  0.195084D+02
      3  -0.154110D+02 -0.128160D+02  0.404045D+01 -0.174165D+02 -0.222275D+02
      4   0.257565D+02  0.233288D+02 -0.792076D+01  0.329217D+02  0.428081D+02
      5  -0.118454D+02 -0.751984D+01  0.931473D+01 -0.104139D+02 -0.148731D+02
      6  -0.732464D+01 -0.569096D+01  0.468738D+01 -0.998429D+01 -0.162478D+02
               141           142           143           144           145 
      1   0.506141D+00 -0.443208D+01  0.801790D+00  0.190016D+01  0.207641D+02
      2  -0.521526D+01  0.178808D+01 -0.271321D+01  0.531182D+00 -0.147480D+02
      3   0.470912D+01  0.264401D+01  0.191142D+01 -0.243134D+01 -0.601608D+01
      4  -0.147627D+02 -0.886267D+01 -0.114134D+02  0.114878D+02 -0.294684D+01
      5   0.102203D+02  0.122374D+02  0.106273D+02 -0.910984D+01 -0.143486D+02
      6   0.107289D+02  0.778672D+01  0.110690D+02 -0.801549D+01 -0.444552D+00
               146           147           148           149           150 
      1  -0.754187D+01 -0.942456D+01 -0.156028D+02  0.863859D+01  0.483875D+01
      2   0.658064D+01  0.780252D+01  0.128588D+02 -0.795533D+01 -0.805786D+01
      3   0.961224D+00  0.162204D+01  0.274400D+01 -0.683263D+00  0.321911D+01
      4   0.700062D+01  0.545560D+00  0.742872D+01 -0.975990D+01 -0.759452D+01
      5   0.407512D+01  0.120706D+02  0.893595D+01 -0.101782D+02 -0.119448D+02
      6  -0.188737D+01  0.147849D+01 -0.294382D+01  0.241973D+01  0.765848D+00
               151           152           153           154           155 
      1  -0.979770D+01  0.139849D+01  0.622207D+01  0.712966D+02  0.766843D+01
      2   0.907689D+01 -0.473409D+01 -0.103396D+02 -0.393893D+02 -0.199227D+01
      3   0.720808D+00  0.333560D+01  0.411750D+01 -0.319073D+02 -0.567616D+01
      4  -0.111380D+01 -0.625093D+01 -0.344472D+01  0.270739D+02  0.117302D+02
      5   0.130092D+02 -0.606832D+01 -0.147029D+02  0.316539D+02  0.387440D+01
      6   0.998567D+00  0.254174D+01 -0.571887D+00  0.821370D+01  0.283810D+01
               156           157           158           159           160 
      1   0.192123D+02 -0.402304D+01  0.557600D+01 -0.272240D+01  0.151092D+02
      2  -0.131433D+02  0.530900D+01 -0.231036D+01  0.361034D+01 -0.122808D+02
      3  -0.606901D+01 -0.128597D+01 -0.326563D+01 -0.887939D+00 -0.282839D+01
      4   0.749370D+01  0.923247D+01  0.367159D+01  0.397693D+01  0.706451D+01
      5   0.184182D+02 -0.181491D+01  0.514139D+01 -0.182297D+00  0.208645D+02
      6   0.572370D+01  0.256164D+01  0.248887D+01  0.329322D+01  0.636766D+01
               161           162           163           164           165 
      1   0.472358D+00  0.115034D+02 -0.243184D+01  0.831189D+01  0.840823D+01
      2   0.730611D+00 -0.948506D+01  0.239171D+01 -0.750884D+01 -0.438204D+01
      3  -0.120297D+01 -0.201831D+01  0.401208D-01 -0.803048D+00 -0.402619D+01
      4   0.416507D+01  0.605565D+01  0.496211D+00 -0.108948D+01  0.186968D+01
      5   0.333670D+01  0.132488D+02  0.330450D+01  0.711186D+00 -0.659834D+00
      6   0.390165D+01  0.404009D+01  0.475212D+01 -0.506633D+01 -0.446151D+01
               166           167           168           169           170 
      1   0.519581D+01 -0.180605D+02 -0.933998D+01  0.598785D+01 -0.726818D+01
      2  -0.306950D+01  0.229718D+02  0.834556D+01 -0.277728D+01  0.550187D+01
      3  -0.212631D+01 -0.491123D+01  0.994420D+00 -0.321056D+01  0.176631D+01
      4   0.486370D+01  0.158338D+02  0.741502D+01  0.457216D+01  0.730825D+01
      5   0.233630D+01  0.741269D+01  0.921579D+01  0.337595D+01  0.692020D+01
      6  -0.677761D-01  0.176251D+02  0.138367D+02 -0.960868D-01  0.125084D+02
               171           172           173           174           175 
      1  -0.923894D+01  0.121917D+02 -0.591749D+01  0.264947D+00 -0.111437D+02
      2   0.432218D+01 -0.438970D+01  0.209356D+01 -0.672156D+00  0.599740D+01
      3   0.491676D+01 -0.780200D+01  0.382394D+01  0.407209D+00  0.514634D+01
      4   0.583081D+01 -0.107717D+02  0.110942D+02 -0.233837D+01  0.899844D+01
      5   0.837943D+01  0.318486D+01 -0.288709D+01  0.293139D+01 -0.816747D+01
      6   0.126713D+02 -0.296725D+01  0.357502D+01 -0.143350D+01  0.413809D+01
               176           177           178           179           180 
      1   0.486197D+01 -0.222964D+01 -0.594603D+01  0.116338D+01 -0.923220D+00
      2   0.519447D-01  0.349610D+01  0.297516D+01  0.622756D+00 -0.729663D+00
      3  -0.491391D+01 -0.126647D+01  0.297087D+01 -0.178613D+01  0.165288D+01
      4  -0.170688D+02  0.181885D+01 -0.205656D+01 -0.198884D+01 -0.376449D+01
      5   0.322149D+01 -0.553061D+01  0.730046D-01 -0.298223D+01  0.587969D+00
      6  -0.669114D+01  0.185834D+01 -0.122654D+01  0.762141D+00 -0.171779D+01
               181           182           183           184           185 
      1  -0.379499D+01 -0.217069D+00  0.305798D+01  0.187149D+00 -0.112165D+01
      2   0.114469D+01 -0.425863D+00  0.156405D+01 -0.103120D+00 -0.200073D+01
      3   0.265030D+01  0.642932D+00 -0.462203D+01 -0.840288D-01  0.312238D+01
      4  -0.284030D+01  0.470675D+00 -0.550602D+00  0.303437D+01 -0.228373D+00
      5  -0.124415D+01 -0.451700D+00  0.878631D+00 -0.426514D+00  0.296177D+01
      6   0.189292D+00  0.737024D+00 -0.931170D-01  0.163815D+01 -0.291017D+00
               186           187           188           189           190 
      1  -0.146324D-01  0.260054D+01  0.184342D+01 -0.165867D+02 -0.403705D+01
      2   0.698159D+00 -0.600456D+01  0.163423D+01 -0.185222D+02  0.570529D+01
      3  -0.683527D+00  0.340402D+01 -0.347765D+01  0.351089D+02 -0.166824D+01
      4   0.328658D+01  0.121241D+01  0.418409D+01 -0.332969D+01 -0.462046D+01
      5  -0.649134D+00  0.826353D+01 -0.218022D+01  0.224599D+02  0.302121D+01
      6   0.522977D+01  0.291493D+00  0.347531D+01  0.744143D+00  0.347241D+00
               191           192           193           194           195 
      1   0.643741D+01 -0.168938D+01  0.660787D+01 -0.196812D+02  0.434875D+01
      2  -0.810621D+01  0.106004D+01 -0.640989D+01  0.304485D+02 -0.353965D+01
      3   0.166880D+01  0.629334D+00 -0.197976D+00 -0.107673D+02 -0.809106D+00
      4   0.519394D+00  0.184988D+01  0.564760D+01  0.183353D+01 -0.478768D+00
      5  -0.362666D+00 -0.888985D+00 -0.272470D+01  0.184328D+01  0.942472D+00
      6   0.637655D+01 -0.305865D+01  0.152368D+01 -0.113961D+02  0.610312D+01
               196           197           198           199           200 
      1   0.151319D+01  0.859497D+00 -0.425897D+01 -0.614523D+00  0.132540D+01
      2  -0.127329D+01  0.264987D+01  0.246776D+01 -0.244246D+01 -0.103099D+01
      3  -0.239900D+00 -0.350937D+01  0.179121D+01  0.305698D+01 -0.294410D+00
      4   0.316898D+01  0.364116D+01 -0.163399D+01  0.194488D+00 -0.747014D+00
      5  -0.104213D+01 -0.167590D+00  0.734836D+00 -0.187531D+01  0.955952D-01
      6  -0.212397D+01  0.252435D+01 -0.171579D+01 -0.527185D+00  0.207820D+01
               201           202           203           204           205 
      1  -0.322396D+01 -0.118524D+01 -0.381162D+01  0.426471D+00 -0.292254D+01
      2   0.997987D+00  0.103913D+01  0.121820D+01 -0.422871D+01  0.255984D+01
      3   0.222597D+01  0.146104D+00  0.259342D+01  0.380224D+01  0.362695D+00
      4  -0.100255D+01 -0.201097D+01 -0.324235D+01  0.125490D+00 -0.383776D+01
      5   0.380181D+01  0.901183D+00  0.468244D+00 -0.203994D+01  0.412280D+01
      6  -0.169022D+01  0.188653D+01 -0.653062D+00  0.234705D+01  0.932650D+00
               206           207           208           209           210 
      1   0.465187D+01 -0.200714D+02 -0.419033D+01 -0.704989D+01 -0.202926D+01
      2  -0.409607D+00 -0.141307D+02  0.594207D+01  0.913003D+01  0.136889D+01
      3  -0.424226D+01  0.342020D+02 -0.175174D+01 -0.208014D+01  0.660371D+00
      4  -0.289886D+01 -0.413681D+00  0.538638D+01  0.955882D+00 -0.172971D+01
      5   0.307994D+01 -0.139040D+02  0.317829D+01  0.610096D+00 -0.779378D+00
      6   0.741422D+01 -0.180200D+02 -0.121405D+00  0.683933D+01  0.335912D+01
               211           212           213           214           215 
      1  -0.675862D+01 -0.191563D+02 -0.426400D+01  0.122016D+01 -0.560438D+00
      2   0.696810D+01  0.298620D+02  0.347678D+01 -0.113680D+01 -0.296517D+01
      3  -0.209481D+00 -0.107057D+02  0.787219D+00 -0.833668D-01  0.352561D+01
      4   0.597302D+01  0.627882D-01 -0.562968D-01 -0.312568D+01  0.367477D+01
      5   0.274468D+01  0.220009D+01 -0.639836D+00 -0.942334D+00  0.311005D+00
      6   0.189290D+01  0.108782D+02  0.597047D+01  0.226579D+01  0.241038D+01
               216           217           218           219           220 
      1  -0.409576D+01 -0.664670D+00 -0.151647D+01 -0.315116D+01  0.876145D+00
      2   0.231886D+01 -0.240199D+01  0.124398D+01  0.108200D+01 -0.705607D+00
      3   0.177690D+01  0.306666D+01  0.272494D+00  0.206916D+01 -0.170537D+00
      4   0.191657D+01 -0.384600D+00 -0.475457D+00  0.120259D+01 -0.192372D+01
      5   0.813769D+00 -0.187561D+01  0.103451D+00  0.395504D+01 -0.702844D+00
      6   0.165944D+01  0.791907D+00  0.208086D+01  0.162922D+01  0.191332D+01
               221           222           223           224           225 
      1  -0.350312D+01 -0.291959D+00 -0.279770D+01 -0.480728D+01 -0.200351D+02
      2   0.917449D+00  0.414925D+01  0.223107D+01  0.550327D+00 -0.141350D+02
      3   0.258568D+01 -0.385729D+01  0.566631D+00  0.425696D+01  0.341701D+02
      4   0.355010D+01  0.279256D+00  0.395134D+01 -0.284654D+01  0.657707D+00
      5   0.523939D+00  0.194673D+01  0.394252D+01 -0.294164D+01 -0.130697D+02
      6   0.479368D+00  0.220809D+01 -0.775314D+00  0.761495D+01  0.186544D+02
               226           227           228           229           230 
      1   0.138221D+02  0.656883D+01  0.544276D+00  0.116717D+02  0.508278D+01
      2  -0.564890D+01 -0.293324D+01 -0.984611D+00 -0.677070D+01 -0.292128D+00
      3  -0.817321D+01 -0.363559D+01  0.440335D+00 -0.490097D+01 -0.479065D+01
      4   0.108411D+02  0.109126D+02  0.235847D+01  0.842108D+01  0.161261D+02
      5   0.377457D+01  0.304571D+01  0.320875D+01  0.840249D+01  0.278694D+01
      6   0.313615D+01  0.359799D+01  0.137070D+01  0.399656D+01  0.606367D+01
               231           232           233           234           235 
      1   0.252895D+01 -0.583424D+01 -0.969279D+00 -0.644737D+00 -0.351797D+01
      2  -0.388960D+01  0.282088D+01 -0.750144D+00 -0.978335D+00  0.891090D+00
      3   0.136065D+01  0.301335D+01  0.171942D+01  0.162307D+01  0.262688D+01
      4   0.143845D+01  0.238094D+01 -0.208357D+01  0.376535D+01  0.317560D+01
      5   0.557003D+01  0.233080D+00  0.306062D+01  0.636312D+00 -0.120154D+01
      6   0.163849D+01  0.122689D+01  0.635246D+00  0.167874D+01 -0.380643D-01
               236           237           238           239           240 
      1   0.352707D+00  0.311187D+01  0.177162D+00 -0.111859D+01  0.157404D+00
      2   0.270357D+00  0.147774D+01 -0.276788D+00 -0.203183D+01 -0.103920D+01
      3  -0.623064D+00 -0.458961D+01  0.996256D-01  0.315043D+01  0.881795D+00
      4   0.352222D+00  0.619858D+00  0.290373D+01  0.426245D-01  0.322014D+01
      5   0.656729D+00  0.916664D+00  0.670956D+00  0.292308D+01  0.829296D+00
      6   0.727657D+00  0.276401D+00  0.162553D+01  0.646355D-01  0.518589D+01
               241           242           243           244           245 
      1   0.240881D+01 -0.158387D+01 -0.162950D+02 -0.198550D+01 -0.208071D+01
      2  -0.596120D+01 -0.173734D+01 -0.187985D+02  0.315838D+00  0.375616D+01
      3   0.355239D+01  0.332121D+01  0.350935D+02  0.166966D+01 -0.167545D+01
      4  -0.139685D+01  0.423855D+01  0.322225D+01  0.611496D+01 -0.261530D+01
      5   0.833153D+01  0.196509D+01  0.223802D+02 -0.498949D+01  0.201893D+01
      6  -0.500883D+00  0.340118D+01 -0.170782D+01  0.129022D+02  0.139866D+01
               246           247           248           249           250 
      1  -0.474042D+01 -0.589037D+01  0.165919D+02  0.157315D+02 -0.716469D+01
      2   0.173284D+01  0.111580D+02 -0.219178D+02 -0.291792D+02  0.478918D+01
      3   0.300758D+01 -0.526759D+01  0.532585D+01  0.134478D+02  0.237552D+01
      4   0.128821D+02 -0.354224D+01  0.937355D+01  0.290456D+01  0.144923D+02
      5  -0.293702D+01  0.158631D+01  0.530684D+01  0.298245D+00 -0.421241D+01
      6   0.822157D+01  0.211275D+01 -0.290098D+02 -0.996220D+01  0.107933D+02
               251           252           253           254           255 
      1   0.209098D+02  0.380645D+01 -0.531599D+01  0.274650D+01  0.885118D+01
      2  -0.335911D+02 -0.763215D+01  0.806284D+01 -0.307896D+01 -0.160984D+01
      3   0.126813D+02  0.382570D+01 -0.274686D+01  0.332454D+00 -0.724133D+01
      4   0.567100D+01  0.108050D+02  0.705499D+01  0.168594D+01 -0.587484D+01
      5   0.324509D+01 -0.150702D+00  0.862537D+01  0.548527D+00 -0.194719D+01
      6  -0.134579D+02 -0.194476D+01 -0.595047D+01 -0.351471D+01 -0.451008D+01
               256           257           258           259           260 
      1   0.540404D+01 -0.172994D+02 -0.919303D+01  0.579263D+01 -0.509141D+01
      2  -0.912582D+01  0.174595D+02  0.164986D+02  0.108757D+01  0.843558D+01
      3   0.372178D+01 -0.160041D+00 -0.730561D+01 -0.688020D+01 -0.334418D+01
      4   0.135878D+01 -0.311726D+01 -0.204903D+01 -0.619101D+01 -0.203550D+01
      5   0.558855D+00 -0.670010D+01 -0.133751D+01 -0.646176D+00 -0.428549D+00
      6  -0.251077D+01  0.129202D+02  0.547412D+01 -0.364708D+01  0.266476D+01
               261           262           263           264           265 
      1   0.258924D+01  0.170518D+02 -0.279179D+01 -0.542402D+01 -0.418001D+00
      2   0.433494D+01 -0.149573D+02  0.572318D+01  0.766360D+01  0.223378D+01
      3  -0.692418D+01 -0.209445D+01 -0.293139D+01 -0.223958D+01 -0.181578D+01
      4  -0.274489D+01  0.147782D+02  0.622242D+01 -0.712007D+01  0.129046D+01
      5  -0.237134D+01 -0.173086D+02 -0.269670D+01  0.107173D+02  0.218378D+01
      6  -0.588228D+01 -0.689102D+01 -0.366368D+01  0.622052D+01 -0.200531D+00
               266           267           268           269           270 
      1   0.452372D+01 -0.662831D+00 -0.322634D+01 -0.718572D+00  0.152309D+01
      2  -0.322824D+01 -0.251446D+00  0.657841D+01  0.177675D+01 -0.709467D+01
      3  -0.129547D+01  0.914276D+00 -0.335207D+01 -0.105818D+01  0.557159D+01
      4   0.639153D-01  0.403895D+00 -0.280120D+01 -0.193662D+00  0.314474D+01
      5  -0.165200D+00 -0.120731D+01  0.781485D+01  0.102072D+00 -0.721317D+01
      6   0.169592D+01 -0.336512D+00  0.329463D+01  0.116889D+01 -0.480025D+01
               271           272           273           274           275 
      1  -0.246984D+00  0.618747D+01 -0.727247D+01  0.184155D+01 -0.173570D+01
      2  -0.430260D+01 -0.630505D+01 -0.166176D+01 -0.195701D+01 -0.712407D+00
      3   0.454959D+01  0.117572D+00  0.893422D+01  0.115456D+00  0.244811D+01
      4  -0.369605D+01 -0.899217D+00 -0.328579D+01 -0.147261D+00 -0.213822D+01
      5   0.184544D+01  0.296793D+00  0.332788D+01 -0.560741D-01  0.223182D+01
      6  -0.236929D+01  0.554345D+01 -0.830884D+01  0.245550D+01 -0.236702D+01
               276           277           278           279           280 
      1   0.159539D+01 -0.236331D+01  0.605879D+01 -0.149441D+02  0.121180D+02
      2  -0.566913D+00 -0.114938D+01 -0.214468D+01 -0.121864D+02 -0.276716D+01
      3  -0.102847D+01  0.351269D+01 -0.391410D+01  0.271305D+02 -0.935086D+01
      4   0.130192D+01 -0.326663D+01 -0.875053D+00 -0.303032D+01  0.250115D+02
      5  -0.988486D+00  0.377509D+01  0.346768D+00 -0.128389D+01  0.751037D+01
      6   0.490586D+01 -0.158527D+01  0.751180D+01 -0.198786D+02  0.959410D+01
               281           282           283           284           285 
      1  -0.253194D+01  0.448556D+01 -0.327485D+01 -0.123460D+01 -0.805839D+00
      2   0.101567D+02 -0.140715D+01  0.730056D+01  0.518723D+01  0.109558D+01
      3  -0.762471D+01 -0.307841D+01 -0.402571D+01 -0.395264D+01 -0.289739D+00
      4   0.117383D+02  0.951567D+01  0.624398D+01  0.848264D+01  0.193205D+01
      5   0.170142D+01  0.630693D+01  0.687404D+00  0.180762D+01  0.709608D+00
      6   0.295726D+01  0.851668D+01  0.120723D+01  0.173246D+01  0.337504D+01
               286           287           288           289           290 
      1   0.506518D+01 -0.107593D+01  0.662966D+00 -0.329276D+01 -0.708488D+00
      2  -0.223135D+01  0.446724D+01  0.410436D+00  0.827857D+01  0.541867D+01
      3  -0.283383D+01 -0.339132D+01 -0.107340D+01 -0.498581D+01 -0.471019D+01
      4   0.151452D+02  0.606948D+01  0.100737D+02  0.774304D+01  0.149477D+02
      5   0.764140D+01  0.301793D+01  0.762237D+01 -0.146056D+01 -0.326203D+01
      6   0.104497D+02  0.773348D+01  0.131770D+02 -0.454604D+01 -0.418209D+01
               291           292           293           294           295 
      1   0.969112D+00 -0.439493D+01 -0.355666D+02  0.127859D+02  0.394302D+01
      2  -0.221650D+01  0.107342D+02  0.631821D+02 -0.200974D+02 -0.594882D+01
      3   0.124739D+01 -0.633928D+01 -0.276155D+02  0.731151D+01  0.200580D+01
      4  -0.475617D+01  0.121725D+02  0.190959D+02 -0.724967D+01 -0.574578D+01
      5   0.356119D+01 -0.191138D+01 -0.460622D+01  0.300569D+01  0.403562D+01
      6   0.349557D+01 -0.592103D+01 -0.289760D+02  0.179259D+02  0.728767D+01
               296           297           298           299           300 
      1   0.193530D+02 -0.128237D+02 -0.369545D+01  0.532576D+00  0.778878D+00
      2  -0.281191D+02  0.152537D+02  0.823611D+01 -0.421247D+01 -0.169726D+01
      3   0.876611D+01 -0.242995D+01 -0.454066D+01  0.367990D+01  0.918385D+00
      4  -0.105313D+02  0.804498D+01 -0.605931D+01  0.142232D+02  0.433766D+01
      5   0.507386D+01 -0.448847D+01 -0.105571D+01  0.295454D+01  0.329084D+01
      6   0.258613D+02 -0.209728D+02  0.420268D+01 -0.320613D+01 -0.283429D+01
               301           302           303           304           305 
      1   0.397097D+01 -0.373176D+02 -0.134062D+02  0.352251D+01 -0.203863D+02
      2  -0.928974D+01  0.653769D+02  0.207647D+02 -0.513823D+01  0.292549D+02
      3   0.531877D+01 -0.280593D+02 -0.735851D+01  0.161573D+01 -0.886859D+01
      4   0.110685D+02 -0.157920D+02 -0.596120D+01  0.492003D+01 -0.861714D+01
      5   0.154687D+01 -0.351784D+01 -0.235456D+01  0.352771D+01 -0.408940D+01
      6  -0.489310D+01  0.295460D+02  0.181809D+02 -0.629003D+01  0.263667D+02
               306           307           308           309           310 
      1  -0.134822D+02  0.101360D+02  0.286695D+01  0.361868D+01  0.320627D+01
      2   0.159227D+02 -0.128654D+01 -0.106164D+02 -0.525934D+00 -0.740043D+01
      3  -0.244047D+01 -0.884951D+01  0.774947D+01 -0.309275D+01  0.419416D+01
      4  -0.676843D+01 -0.248087D+02  0.118189D+02 -0.966366D+01  0.645089D+01
      5  -0.355532D+01  0.694927D+01 -0.187106D+01  0.586921D+01 -0.908971D+00
      6   0.211472D+02 -0.969598D+01  0.343023D+01 -0.860808D+01  0.160908D+01
               311           312           313           314           315 
      1  -0.248896D+01  0.721145D+00  0.372981D+01  0.128204D+01 -0.288604D+00
      2   0.706731D+01 -0.108494D+01 -0.101547D+01 -0.469964D+01  0.139131D+01
      3  -0.457836D+01  0.363794D+00 -0.271434D+01  0.341760D+01 -0.110271D+01
      4  -0.902394D+01  0.224912D+01 -0.151602D+02  0.644267D+01 -0.100483D+02
      5   0.173418D+01 -0.859992D+00  0.701614D+01 -0.305016D+01  0.700014D+01
      6  -0.192452D+01  0.381392D+01 -0.103968D+02  0.838491D+01 -0.134736D+02
               316           317           318           319           320 
      1   0.159470D+02  0.287494D+01 -0.473354D+01  0.237147D+00  0.443389D+01
      2  -0.140171D+02 -0.581095D+01  0.701908D+01 -0.199672D+01 -0.290625D+01
      3  -0.192991D+01  0.293601D+01 -0.228553D+01  0.175957D+01 -0.152765D+01
      4  -0.158581D+02  0.617822D+01  0.768760D+01  0.174043D+01 -0.130593D+01
      5  -0.169874D+02  0.323569D+01  0.104910D+02 -0.151256D+01 -0.351026D+00
      6   0.748915D+01 -0.405923D+01 -0.670428D+01 -0.478193D+00 -0.128628D+01
               321           322           323           324           325 
      1   0.908832D+00 -0.289221D+01  0.886491D+00  0.122503D+01 -0.302132D+00
      2  -0.991684D-01  0.621416D+01 -0.206954D+01 -0.679656D+01 -0.423895D+01
      3  -0.809664D+00 -0.332195D+01  0.118305D+01  0.557152D+01  0.454108D+01
      4   0.386675D-01  0.326863D+01 -0.381803D+00 -0.351859D+01  0.349344D+01
      5   0.726404D+00  0.765046D+01 -0.408281D+00 -0.699625D+01  0.196013D+01
      6  -0.857089D-01 -0.361465D+01  0.130869D+01  0.512473D+01  0.264386D+01
               326           327           328           329           330 
      1  -0.632041D+01 -0.703079D+01 -0.190766D+01 -0.117647D+01 -0.115357D+01
      2   0.653536D+01 -0.194501D+01  0.211788D+01 -0.128409D+01  0.526395D+00
      3  -0.214950D+00  0.897579D+01 -0.210221D+00  0.246055D+01  0.627175D+00
      4  -0.392064D+00  0.358078D+01 -0.375985D-01  0.221362D+01  0.123566D+01
      5  -0.306869D-01  0.374217D+01  0.186416D+00  0.233616D+01  0.104352D+01
      6   0.553387D+01  0.837146D+01  0.243546D+01  0.189729D+01  0.448113D+01
               331           332           333 
      1  -0.234156D+01 -0.600176D+01 -0.146565D+02
      2  -0.134813D+01  0.224707D+01 -0.124460D+02
      3   0.368970D+01  0.375469D+01  0.271025D+02
      4   0.328944D+01 -0.652437D+00  0.314913D+01
      5   0.383441D+01 -0.177023D+00 -0.386096D+00
      6   0.175698D+01  0.744338D+01  0.199036D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.658671D-03      0.167418D-02      0.558445D-02
   y          0.143809D-01      0.365526D-01      0.121926D+00
   z          0.725989D-03      0.184528D-02      0.615519D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149422D+03      0.221421D+02      0.246364D+02
   yx        -0.441725D-02     -0.654570D-03     -0.728307D-03
   yy         0.148320D+03      0.219787D+02      0.244546D+02
   zx        -0.453560D-01     -0.672107D-02     -0.747820D-02
   zy        -0.468236D-04     -0.693854D-05     -0.772017D-05
   zz         0.120632D+03      0.178758D+02      0.198895D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.141786D+03      0.210105D+02      0.233773D+02
   aniso      0.285403D+02      0.422923D+01      0.470565D+01
   xx         0.151837D+03      0.224999D+02      0.250346D+02
   yx        -0.224111D-02     -0.332098D-03     -0.369509D-03
   yy         0.150751D+03      0.223390D+02      0.248555D+02
   zx        -0.224096D-01     -0.332077D-02     -0.369485D-02
   zy        -0.237557D-02     -0.352024D-03     -0.391679D-03
   zz         0.122769D+03      0.181925D+02      0.202419D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.63170140          1.56519360         -2.77330559
     6         -4.63491925         -1.28260134         -2.93006991
     7         -1.94868331         -2.20046724         -2.72415828
    45         -0.00033715          0.00025888          0.00223332
     7          2.06738136          1.91138398         -2.85031279
     6          4.75860935          0.98506499         -2.84288536
     6          4.74403713         -1.83123877         -2.39211776
     7          3.24147205         -2.35582258         -0.03335288
     7         -3.23342707          2.33310036         -0.41702454
     7          1.56310870          2.20941609          2.96034269
     6          1.18659769          0.86180546          5.43712811
     1          6.65944756         -2.56771819         -2.20264289
     1          3.84681089         -2.83895626         -3.94943791
     1          5.68506960          1.45299991         -4.62308593
     1          5.76803186          1.97940847         -1.34663991
     1         -5.48456994         -1.93423556         -4.69069712
     1         -5.71129724         -2.11756751         -1.38388476
     1         -6.55143104          2.31420944         -2.74583374
     1         -3.66379171          2.40780667         -4.38551415
     1         -4.42914598          2.17120471          1.08583249
     1         -2.84040798          4.21706091         -0.52205729
     1         -1.12845012         -2.09360158         -4.46469920
     1         -1.96699633         -4.08495861         -2.32070815
     1          1.32294939          1.62058459         -4.60378038
     1          2.07102177          3.82770644         -2.64543478
     1          4.36920616         -2.03755754          1.49673061
     1          2.84870975         -4.24138187          0.03829273
     6         -1.41829863         -0.30062832          5.44156318
     7         -1.69189832         -1.89654938          3.10276797
     1          3.42959843          2.64421984          2.76086658
     1          0.68108274          3.92080934          3.05632857
     1          2.64719557         -0.58231926          5.60950426
     1          1.42451777          2.17010910          7.01149378
     1         -1.72544698         -1.44075577          7.13056109
     1         -2.88217764          1.14983129          5.40223913
     1         -3.54901260         -2.35495197          2.87094007
     1         -0.81737675         -3.58656429          3.41140659

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.144143D-01      0.366374D-01      0.122209D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149365D+03      0.221336D+02      0.246269D+02
   yx        -0.126523D+01     -0.187488D+00     -0.208609D+00
   yy         0.120758D+03      0.178945D+02      0.199103D+02
   zx         0.107439D+00      0.159209D-01      0.177144D-01
   zy         0.139152D+01      0.206201D+00      0.229430D+00
   zz         0.148251D+03      0.219686D+02      0.244433D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.141786D+03      0.210105D+02      0.233773D+02
   aniso      0.285403D+02      0.422923D+01      0.470565D+01
   xx         0.151777D+03      0.224910D+02      0.250246D+02
   yx        -0.130069D+01     -0.192742D+00     -0.214454D+00
   yy         0.122899D+03      0.182118D+02      0.202633D+02
   zx         0.110748D+00      0.164111D-01      0.182598D-01
   zy         0.140742D+01      0.208559D+00      0.232053D+00
   zz         0.150682D+03      0.223287D+02      0.248440D+02

 ----------------------------------------------------------------------
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 CONFIDENCE: THAT QUIET ASSURED FEELING YOU HAVE
 JUST BEFORE YOU FALL FLAT ON YOUR FACE.
 Job cpu time:       0 days 22 hours 27 minutes 50.2 seconds.
 Elapsed time:       0 days  1 hours 24 minutes 20.8 seconds.
 File lengths (MBytes):  RWF=    642 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 19:56:51 2021.
